(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol

C202H430F3N5O23S — CID 158625492

IUPAC(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol
SMILESCC(C)C(CO)CO.CC(C)CC1CCCO1.CC(C)CCCO.CC(C)CCO.CC(C)C[C@@H](CO)C(C)C.CC(C)[C@H](CO)CC1CC1.CC(C)[C@H](CO)c1ccccc1.CCCC(C)C(C)C.CCCC(CO)C(C)C.CCCC(CO)C(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCC[C@@H](CO)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(=O)CC)C(C)C.CCC[C@@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@@H](C(=O)NCCN)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)OC)C(C)C.CCC[C@@H](C(N)=O)C(C)C.CCC[C@H](C(C)C)C(F)(F)F.CC[C@H](C)[C@@H](CO)C(C)C.CSCCC(CO)C(C)C
InChIInChI=1S/C12H25NO2.C11H16O.C10H22N2O.C10H21NO2.C10H20O.C9H18O2.C9H18O.4C9H20O.C8H15F3.C8H17NO.C8H18OS.C8H16O.2C8H18O.2C8H18.2C7H16.C6H14O2.C6H14O.C5H12O/c1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)12-7-6-11;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;1-5-8(4)9(6-10)7(2)3;2*1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-7(2)6-8-4-3-5-9-8;2*1-4-5-8(6-9)7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;2*1-4-5-6-7(2)3;1-5(2)6(3-7)4-8;1-6(2)4-3-5-7;1-5(2)3-4-6/h9-10,15H,6-8H2,1-5H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;8-9H,4-7,11H2,1-3H3,(H,12,13);8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;2*7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*7-9H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3/t10-;11-;3*9-;8-;2*9-;8-,9-;2*9-;2*7-;;;;;;;;;;;/m1011110001011.........../s1
InChIKeyHYNRIJKUNTXRBK-DWKJAPMXSA-N
MW3386.73 g/mol
LogP51.59
Rot. Bonds95

About (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol

(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol (PubChem CID 158625492) has the molecular formula C202H430F3N5O23S and a molecular weight of 3386.73 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol
PubChem CID158625492
Molecular FormulaC202H430F3N5O23S
Molecular Weight3386.73 g/mol
Exact Mass3384.23
IUPAC Name(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol
SMILESCC(C)C(CO)CO.CC(C)CC1CCCO1.CC(C)CCCO.CC(C)CCO.CC(C)C[C@@H](CO)C(C)C.CC(C)[C@H](CO)CC1CC1.CC(C)[C@H](CO)c1ccccc1.CCCC(C)C(C)C.CCCC(CO)C(C)C.CCCC(CO)C(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCC[C@@H](CO)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(=O)CC)C(C)C.CCC[C@@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@@H](C(=O)NCCN)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)OC)C(C)C.CCC[C@@H](C(N)=O)C(C)C.CCC[C@H](C(C)C)C(F)(F)F.CC[C@H](C)[C@@H](CO)C(C)C.CSCCC(CO)C(C)C
InChIInChI=1S/C12H25NO2.C11H16O.C10H22N2O.C10H21NO2.C10H20O.C9H18O2.C9H18O.4C9H20O.C8H15F3.C8H17NO.C8H18OS.C8H16O.2C8H18O.2C8H18.2C7H16.C6H14O2.C6H14O.C5H12O/c1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)12-7-6-11;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;1-5-8(4)9(6-10)7(2)3;2*1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-7(2)6-8-4-3-5-9-8;2*1-4-5-8(6-9)7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;2*1-4-5-6-7(2)3;1-5(2)6(3-7)4-8;1-6(2)4-3-5-7;1-5(2)3-4-6/h9-10,15H,6-8H2,1-5H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;8-9H,4-7,11H2,1-3H3,(H,12,13);8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;2*7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*7-9H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3/t10-;11-;3*9-;8-;2*9-;8-,9-;2*9-;2*7-;;;;;;;;;;;/m1011110001011.........../s1
InChIKeyHYNRIJKUNTXRBK-DWKJAPMXSA-N
XLogP51.59
TPSA512.46 Ų
H-Bond Donors20
H-Bond Acceptors25
Rotatable Bonds95
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003386.73
LogP ≤ 551.59
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
The IUPAC name of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol (CID 158625492) is (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
The canonical SMILES for (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol is CC(C)C(CO)CO.CC(C)CC1CCCO1.CC(C)CCCO.CC(C)CCO.CC(C)C[C@@H](CO)C(C)C.CC(C)[C@H](CO)CC1CC1.CC(C)[C@H](CO)c1ccccc1.CCCC(C)C(C)C.CCCC(CO)C(C)C.CCCC(CO)C(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.CCCC[C@@H](CO)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(=O)CC)C(C)C.CCC[C@@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@@H](C(=O)NCCN)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)OC)C(C)C.CCC[C@@H](C(N)=O)C(C)C.CCC[C@H](C(C)C)C(F)(F)F.CC[C@H](C)[C@@H](CO)C(C)C.CSCCC(CO)C(C)C.
What is the InChIKey of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
The InChIKey is HYNRIJKUNTXRBK-DWKJAPMXSA-N. The full InChI is InChI=1S/C12H25NO2.C11H16O.C10H22N2O.C10H21NO2.C10H20O.C9H18O2.C9H18O.4C9H20O.C8H15F3.C8H17NO.C8H18OS.C8H16O.2C8H18O.2C8H18.2C7H16.C6H14O2.C6H14O.C5H12O/c1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)12-7-6-11;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;1-5-8(4)9(6-10)7(2)3;2*1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-7(2)6-8-4-3-5-9-8;2*1-4-5-8(6-9)7(2)3;1-5-6-8(4)7(2)3;1-4-5-6-7-8(2)3;2*1-4-5-6-7(2)3;1-5(2)6(3-7)4-8;1-6(2)4-3-5-7;1-5(2)3-4-6/h9-10,15H,6-8H2,1-5H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;8-9H,4-7,11H2,1-3H3,(H,12,13);8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;2*7-10H,5-6H2,1-4H3;2*8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;2*7-9H,4-6H2,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3/t10-;11-;3*9-;8-;2*9-;8-,9-;2*9-;2*7-;;;;;;;;;;;/m1011110001011.........../s1.
What are the key properties of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol?
(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol has a molecular weight of 3386.73 g/mol, XLogP of 51.59, 95 rotatable bonds, 20 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;2,3-dimethylhexane;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;3-methylbutan-1-ol;2-methylheptane;bis(2-methylhexane);(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;4-methylpentan-1-ol;(2S)-3-methyl-2-phenylbutan-1-ol;methyl (2R)-2-propan-2-ylpentanoate;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2R)-4-methyl-2-propan-2-ylpentan-1-ol;2-(2-methylpropyl)oxolane;(3R)-2-methyl-3-(trifluoromethyl)hexane;(4R)-4-propan-2-ylheptan-3-one;(2R)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylhexan-1-ol;(2R)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol;(2R)-2-propan-2-ylpentan-1-ol;2-propan-2-ylpropane-1,3-diol is sourced from PubChem (CID 158625492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).