2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine

C76H161F12N7 — CID 162122845

IUPAC2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine
SMILESCC(C)CC(C)(C)N[C@@H](C(C)C)C(F)(F)F.CC(C)CCN[C@@H](C(C)C)C(F)(F)F.CC(C)CCN[C@@H](C)C(C)C.CC(C)C[C@@H](C)N[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N[C@@H](C)C(C)C.CC(C)C[C@H](C)N[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@H](C)N[C@@H](C)C(C)C
InChIInChI=1S/C12H24F3N.2C11H22F3N.2C11H25N.C10H20F3N.C10H23N/c1-8(2)7-11(5,6)16-10(9(3)4)12(13,14)15;2*1-7(2)6-9(5)15-10(8(3)4)11(12,13)14;2*1-8(2)7-10(5)12-11(6)9(3)4;1-7(2)5-6-14-9(8(3)4)10(11,12)13;1-8(2)6-7-11-10(5)9(3)4/h8-10,16H,7H2,1-6H3;2*7-10,15H,6H2,1-5H3;2*8-12H,7H2,1-6H3;7-9,14H,5-6H2,1-4H3;8-11H,6-7H2,1-5H3/t10-;9-,10+;9-,10-;10-,11+;10-,11-;9-;10-/m0101000/s1
InChIKeyZHQHBGDXFGQSEM-ABXZYQIZSA-N
MW1401.15 g/mol
LogP23.17
Rot. Bonds35

About 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine

2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine (PubChem CID 162122845) has the molecular formula C76H161F12N7 and a molecular weight of 1401.15 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine
PubChem CID162122845
Molecular FormulaC76H161F12N7
Molecular Weight1401.15 g/mol
Exact Mass1400.26
IUPAC Name2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine
SMILESCC(C)CC(C)(C)N[C@@H](C(C)C)C(F)(F)F.CC(C)CCN[C@@H](C(C)C)C(F)(F)F.CC(C)CCN[C@@H](C)C(C)C.CC(C)C[C@@H](C)N[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N[C@@H](C)C(C)C.CC(C)C[C@H](C)N[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@H](C)N[C@@H](C)C(C)C
InChIInChI=1S/C12H24F3N.2C11H22F3N.2C11H25N.C10H20F3N.C10H23N/c1-8(2)7-11(5,6)16-10(9(3)4)12(13,14)15;2*1-7(2)6-9(5)15-10(8(3)4)11(12,13)14;2*1-8(2)7-10(5)12-11(6)9(3)4;1-7(2)5-6-14-9(8(3)4)10(11,12)13;1-8(2)6-7-11-10(5)9(3)4/h8-10,16H,7H2,1-6H3;2*7-10,15H,6H2,1-5H3;2*8-12H,7H2,1-6H3;7-9,14H,5-6H2,1-4H3;8-11H,6-7H2,1-5H3/t10-;9-,10+;9-,10-;10-,11+;10-,11-;9-;10-/m0101000/s1
InChIKeyZHQHBGDXFGQSEM-ABXZYQIZSA-N
XLogP23.17
TPSA84.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds35
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.15
LogP ≤ 523.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
CID 153298549
2,4-dimethyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
CID 156566520
CID 158234731
CID 158234731
2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
CID 158511997
CID 160722352
CID 160722352
(2S)-N,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine;2,5-dimethyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine;N,4-dimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine;(2S)-N,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine;(2R)-N,5-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine;N,2,5-trimethyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine;(2R)-N,5,5-trimethyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine;N,2,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine;N,4,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-1-amine
CID 160961257
N,3-dimethylbutan-2-amine;2,4-dimethylpentan-2-amine;3-methylbutan-1-amine;2-methylhexane;N,N,2,4-tetramethylpentan-2-amine;1,1,1-trifluoro-4-methylpentane;N,N,3-trimethylbutan-1-amine;2,4,4-trimethylhexane;N,N,4-trimethylpentan-2-amine;N,N,2-trimethylpropan-1-amine
CID 161699369
3,3-difluoro-N-propan-2-ylbutan-1-amine;3,3-difluoro-N-propan-2-ylpropan-1-amine;3-fluoro-3-methyl-N-propan-2-ylbutan-1-amine;3-fluoro-N-propan-2-ylbutan-1-amine;3-fluoro-N-propan-2-ylpropan-1-amine;4,4,4-trifluoro-N-propan-2-ylbutan-1-amine;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 164076151
2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine
CID 170692691
2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine
CID 170692692
4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
CID 103529281
4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine
CID 158755562

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
The IUPAC name of 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine (CID 162122845) is 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine.
What is the SMILES notation for 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
The canonical SMILES for 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine is CC(C)CC(C)(C)N[C@@H](C(C)C)C(F)(F)F.CC(C)CCN[C@@H](C(C)C)C(F)(F)F.CC(C)CCN[C@@H](C)C(C)C.CC(C)C[C@@H](C)N[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@@H](C)N[C@@H](C)C(C)C.CC(C)C[C@H](C)N[C@@H](C(C)C)C(F)(F)F.CC(C)C[C@H](C)N[C@@H](C)C(C)C.
What is the InChIKey of 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
The InChIKey is ZHQHBGDXFGQSEM-ABXZYQIZSA-N. The full InChI is InChI=1S/C12H24F3N.2C11H22F3N.2C11H25N.C10H20F3N.C10H23N/c1-8(2)7-11(5,6)16-10(9(3)4)12(13,14)15;2*1-7(2)6-9(5)15-10(8(3)4)11(12,13)14;2*1-8(2)7-10(5)12-11(6)9(3)4;1-7(2)5-6-14-9(8(3)4)10(11,12)13;1-8(2)6-7-11-10(5)9(3)4/h8-10,16H,7H2,1-6H3;2*7-10,15H,6H2,1-5H3;2*8-12H,7H2,1-6H3;7-9,14H,5-6H2,1-4H3;8-11H,6-7H2,1-5H3/t10-;9-,10+;9-,10-;10-,11+;10-,11-;9-;10-/m0101000/s1.
What are the key properties of 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine?
2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine has a molecular weight of 1401.15 g/mol, XLogP of 23.17, 35 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine is sourced from PubChem (CID 162122845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).