N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide

C13H26N2O — CID 81385876

IUPACN-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(9-14-3)13(16)15-11(2)12-7-5-4-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyGQTAHODYFTYGFO-DTIOYNMSSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds5

About N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide

N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 81385876) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID81385876
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(9-14-3)13(16)15-11(2)12-7-5-4-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyGQTAHODYFTYGFO-DTIOYNMSSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782455
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide (CID 81385876) is N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)N[C@@H](C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is GQTAHODYFTYGFO-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(9-14-3)13(16)15-11(2)12-7-5-4-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide?
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 81385876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).