N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide

C15H30N2O — CID 119495852

IUPACN-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
SMILESCCC(CC1CCCCC1)C(=O)NCCC(C)N
InChIInChI=1S/C15H30N2O/c1-3-14(11-13-7-5-4-6-8-13)15(18)17-10-9-12(2)16/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyIKPFZSUEYDMIEW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds7

About N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide

N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide (PubChem CID 119495852) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
PubChem CID119495852
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
SMILESCCC(CC1CCCCC1)C(=O)NCCC(C)N
InChIInChI=1S/C15H30N2O/c1-3-14(11-13-7-5-4-6-8-13)15(18)17-10-9-12(2)16/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyIKPFZSUEYDMIEW-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
N-(3-aminobutyl)-2-cycloheptyloxypropanamide
CID 119498510
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510207
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide?
The IUPAC name of N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide (CID 119495852) is N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide?
The canonical SMILES for N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide is CCC(CC1CCCCC1)C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide?
The InChIKey is IKPFZSUEYDMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-14(11-13-7-5-4-6-8-13)15(18)17-10-9-12(2)16/h12-14H,3-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide?
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide is sourced from PubChem (CID 119495852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).