N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide

C13H26N2O — CID 106825992

IUPACN-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide
SMILESCCC(CCN)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(7-10-14)15-12(16)13(2)8-5-4-6-9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyUNZKLZKGHJVCNZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds5

About N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide

N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106825992) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106825992
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide
SMILESCCC(CCN)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(7-10-14)15-12(16)13(2)8-5-4-6-9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyUNZKLZKGHJVCNZ-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chlorobutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828986
N-[(2R)-1-hydroxybutan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 103920108
N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide
CID 106357136
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
N-hexan-3-yl-3-methylpiperidine-3-carboxamide
CID 63134940
1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 165121512
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 130609704
diethyl 2-[(1-methylcyclohexanecarbonyl)amino]propanedioate
CID 106828158
N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide
CID 103528999
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 130609703
N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 115283457

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide (CID 106825992) is N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide is CCC(CCN)NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is UNZKLZKGHJVCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-11(7-10-14)15-12(16)13(2)8-5-4-6-9-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106825992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).