(2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

C208H430F24N16 — CID 158265079

IUPAC(2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC.CC.CC(C)CC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)CC(C)(C)N(C)[C@@H](C)C(C)C.CC(C)CC(C)(C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)CC(C)(C)N[C@@H](C)C(C)C.CC(C)CCN(C)[C@@H](C)C(C)C.CC(C)CCN(C1CC1)[C@@H](C)C(C)C.CC(C)C[C@@H](C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N(C)[C@@H](C)C(C)C.CC(C)C[C@@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N(C1CC1)[C@@H](C)C(C)C.CC(C)C[C@H](C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@H](C)N(C)[C@@H](C)C(C)C.CC(C)C[C@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)[C@H](C)N(C1CC1)[C@@H](C)CC(C)(C)C.CCCCN(C)[C@@H](C(C)C)C(F)(F)F.CCCCN(C1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C15H28F3N.C15H31N.2C14H26F3N.C14H29N.C13H26F3N.C13H27N.C13H29N.C12H22F3N.2C12H24F3N.3C12H27N.C11H25N.C10H20F3N.2C2H6/c1-10(2)9-14(5,6)19(12-7-8-12)13(11(3)4)15(16,17)18;1-11(2)13(4)16(14-8-9-14)12(3)10-15(5,6)7;2*1-9(2)8-11(5)18(12-6-7-12)13(10(3)4)14(15,16)17;1-10(2)9-12(5)15(14-7-8-14)13(6)11(3)4;1-9(2)8-12(5,6)17(7)11(10(3)4)13(14,15)16;1-10(2)8-9-14(13-6-7-13)12(5)11(3)4;1-10(2)9-13(6,7)14(8)12(5)11(3)4;1-4-5-8-16(10-6-7-10)11(9(2)3)12(13,14)15;2*1-8(2)7-10(5)16(6)11(9(3)4)12(13,14)15;1-9(2)8-12(6,7)13-11(5)10(3)4;2*1-9(2)8-11(5)13(7)12(6)10(3)4;1-9(2)7-8-12(6)11(5)10(3)4;1-5-6-7-14(4)9(8(2)3)10(11,12)13;2*1-2/h10-13H,7-9H2,1-6H3;11-14H,8-10H2,1-7H3;2*9-13H,6-8H2,1-5H3;10-14H,7-9H2,1-6H3;9-11H,8H2,1-7H3;10-13H,6-9H2,1-5H3;10-12H,9H2,1-8H3;9-11H,4-8H2,1-3H3;2*8-11H,7H2,1-6H3;9-11,13H,8H2,1-7H3;2*9-12H,8H2,1-7H3;9-11H,7-8H2,1-6H3;8-9H,5-7H2,1-4H3;2*1-2H3/t13-;12-,13-;11-,13+;11-,13-;12-,13+;11-;2*12-;11-;10-,11+;10-,11-;11-;11-,12+;11-,12-;11-;9-;;/m0010100001001000../s1
InChIKeyGIILGZYIHOVPHK-KHOLIROYSA-N
MW3611.79 g/mol
LogP64.04
Rot. Bonds86

About (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

(2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (PubChem CID 158265079) has the molecular formula C208H430F24N16 and a molecular weight of 3611.79 g/mol. Its IUPAC name is (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
PubChem CID158265079
Molecular FormulaC208H430F24N16
Molecular Weight3611.79 g/mol
Exact Mass3609.38
IUPAC Name(2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC.CC.CC(C)CC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)CC(C)(C)N(C)[C@@H](C)C(C)C.CC(C)CC(C)(C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)CC(C)(C)N[C@@H](C)C(C)C.CC(C)CCN(C)[C@@H](C)C(C)C.CC(C)CCN(C1CC1)[C@@H](C)C(C)C.CC(C)C[C@@H](C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N(C)[C@@H](C)C(C)C.CC(C)C[C@@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N(C1CC1)[C@@H](C)C(C)C.CC(C)C[C@H](C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@H](C)N(C)[C@@H](C)C(C)C.CC(C)C[C@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)[C@H](C)N(C1CC1)[C@@H](C)CC(C)(C)C.CCCCN(C)[C@@H](C(C)C)C(F)(F)F.CCCCN(C1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C15H28F3N.C15H31N.2C14H26F3N.C14H29N.C13H26F3N.C13H27N.C13H29N.C12H22F3N.2C12H24F3N.3C12H27N.C11H25N.C10H20F3N.2C2H6/c1-10(2)9-14(5,6)19(12-7-8-12)13(11(3)4)15(16,17)18;1-11(2)13(4)16(14-8-9-14)12(3)10-15(5,6)7;2*1-9(2)8-11(5)18(12-6-7-12)13(10(3)4)14(15,16)17;1-10(2)9-12(5)15(14-7-8-14)13(6)11(3)4;1-9(2)8-12(5,6)17(7)11(10(3)4)13(14,15)16;1-10(2)8-9-14(13-6-7-13)12(5)11(3)4;1-10(2)9-13(6,7)14(8)12(5)11(3)4;1-4-5-8-16(10-6-7-10)11(9(2)3)12(13,14)15;2*1-8(2)7-10(5)16(6)11(9(3)4)12(13,14)15;1-9(2)8-12(6,7)13-11(5)10(3)4;2*1-9(2)8-11(5)13(7)12(6)10(3)4;1-9(2)7-8-12(6)11(5)10(3)4;1-5-6-7-14(4)9(8(2)3)10(11,12)13;2*1-2/h10-13H,7-9H2,1-6H3;11-14H,8-10H2,1-7H3;2*9-13H,6-8H2,1-5H3;10-14H,7-9H2,1-6H3;9-11H,8H2,1-7H3;10-13H,6-9H2,1-5H3;10-12H,9H2,1-8H3;9-11H,4-8H2,1-3H3;2*8-11H,7H2,1-6H3;9-11,13H,8H2,1-7H3;2*9-12H,8H2,1-7H3;9-11H,7-8H2,1-6H3;8-9H,5-7H2,1-4H3;2*1-2H3/t13-;12-,13-;11-,13+;11-,13-;12-,13+;11-;2*12-;11-;10-,11+;10-,11-;11-;11-,12+;11-,12-;11-;9-;;/m0010100001001000../s1
InChIKeyGIILGZYIHOVPHK-KHOLIROYSA-N
XLogP64.04
TPSA60.63 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds86
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003611.79
LogP ≤ 564.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine with MolForge

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What is the IUPAC name of (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The IUPAC name of (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (CID 158265079) is (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.
What is the SMILES notation for (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The canonical SMILES for (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is CC.CC.CC(C)CC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)CC(C)(C)N(C)[C@@H](C)C(C)C.CC(C)CC(C)(C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)CC(C)(C)N[C@@H](C)C(C)C.CC(C)CCN(C)[C@@H](C)C(C)C.CC(C)CCN(C1CC1)[C@@H](C)C(C)C.CC(C)C[C@@H](C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N(C)[C@@H](C)C(C)C.CC(C)C[C@@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N(C1CC1)[C@@H](C)C(C)C.CC(C)C[C@H](C)N(C)[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@H](C)N(C)[C@@H](C)C(C)C.CC(C)C[C@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.CC(C)[C@H](C)N(C1CC1)[C@@H](C)CC(C)(C)C.CCCCN(C)[C@@H](C(C)C)C(F)(F)F.CCCCN(C1CC1)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The InChIKey is GIILGZYIHOVPHK-KHOLIROYSA-N. The full InChI is InChI=1S/C15H28F3N.C15H31N.2C14H26F3N.C14H29N.C13H26F3N.C13H27N.C13H29N.C12H22F3N.2C12H24F3N.3C12H27N.C11H25N.C10H20F3N.2C2H6/c1-10(2)9-14(5,6)19(12-7-8-12)13(11(3)4)15(16,17)18;1-11(2)13(4)16(14-8-9-14)12(3)10-15(5,6)7;2*1-9(2)8-11(5)18(12-6-7-12)13(10(3)4)14(15,16)17;1-10(2)9-12(5)15(14-7-8-14)13(6)11(3)4;1-9(2)8-12(5,6)17(7)11(10(3)4)13(14,15)16;1-10(2)8-9-14(13-6-7-13)12(5)11(3)4;1-10(2)9-13(6,7)14(8)12(5)11(3)4;1-4-5-8-16(10-6-7-10)11(9(2)3)12(13,14)15;2*1-8(2)7-10(5)16(6)11(9(3)4)12(13,14)15;1-9(2)8-12(6,7)13-11(5)10(3)4;2*1-9(2)8-11(5)13(7)12(6)10(3)4;1-9(2)7-8-12(6)11(5)10(3)4;1-5-6-7-14(4)9(8(2)3)10(11,12)13;2*1-2/h10-13H,7-9H2,1-6H3;11-14H,8-10H2,1-7H3;2*9-13H,6-8H2,1-5H3;10-14H,7-9H2,1-6H3;9-11H,8H2,1-7H3;10-13H,6-9H2,1-5H3;10-12H,9H2,1-8H3;9-11H,4-8H2,1-3H3;2*8-11H,7H2,1-6H3;9-11,13H,8H2,1-7H3;2*9-12H,8H2,1-7H3;9-11H,7-8H2,1-6H3;8-9H,5-7H2,1-4H3;2*1-2H3/t13-;12-,13-;11-,13+;11-,13-;12-,13+;11-;2*12-;11-;10-,11+;10-,11-;11-;11-,12+;11-,12-;11-;9-;;/m0010100001001000../s1.
What are the key properties of (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
(2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine has a molecular weight of 3611.79 g/mol, XLogP of 64.04, 86 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-1,1,1-trifluoro-N,3-dimethylbutan-2-amine;N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,3-dimethyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;2,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N-[(2S)-4,4-dimethylpentan-2-yl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine;N-(2,4-dimethylpentan-2-yl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;ethane;N-[(2S)-3-methylbutan-2-yl]-N-(3-methylbutyl)cyclopropanamine;N-[(2S)-3-methylbutan-2-yl]-N-[(2R)-4-methylpentan-2-yl]cyclopropanamine;N-[(2R)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine;N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is sourced from PubChem (CID 158265079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).