2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide

C12H26N2O — CID 79195498

IUPAC2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
SMILESCNCC(C)C(=O)NC(C)CCC(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)6-7-11(4)14-12(15)10(3)8-13-5/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyHCMQPRWTRRGOPC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.78
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide

2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide (PubChem CID 79195498) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
PubChem CID79195498
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
SMILESCNCC(C)C(=O)NC(C)CCC(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)6-7-11(4)14-12(15)10(3)8-13-5/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyHCMQPRWTRRGOPC-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 79202231
(2S)-2-amino-N-(5-methylhexan-2-yl)propanamide
CID 61146482
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
2,7-dimethyl-1-(methylamino)octan-3-one
CID 116586892
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803241
(2S)-3-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]butanoic acid
CID 79202638
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
N,2,5-trimethylhexanamide
CID 78065622
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
CID 119787715
2-(5-methylhexan-2-ylamino)-2-oxoacetic acid
CID 63925332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide (CID 79195498) is 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide is CNCC(C)C(=O)NC(C)CCC(C)C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide?
The InChIKey is HCMQPRWTRRGOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)6-7-11(4)14-12(15)10(3)8-13-5/h9-11,13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide?
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide has a molecular weight of 214.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide is sourced from PubChem (CID 79195498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).