5-amino-N-(cyclohexylmethyl)-2-methylpentanamide

C13H26N2O — CID 104683632

IUPAC5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-11(6-5-9-14)13(16)15-10-12-7-3-2-4-8-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyMMKLGGBLLBQGMC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds6

About 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide

5-amino-N-(cyclohexylmethyl)-2-methylpentanamide (PubChem CID 104683632) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
PubChem CID104683632
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-11(6-5-9-14)13(16)15-10-12-7-3-2-4-8-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyMMKLGGBLLBQGMC-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
(2R)-7-amino-N-cyclohexyloxy-2-methylheptanamide
CID 89167403
(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide
CID 89167578
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 104684171
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
5-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpentanamide
CID 113441005

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide (CID 104683632) is 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide is CC(CCCN)C(=O)NCC1CCCCC1.
What is the InChIKey of 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide?
The InChIKey is MMKLGGBLLBQGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(6-5-9-14)13(16)15-10-12-7-3-2-4-8-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide?
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohexylmethyl)-2-methylpentanamide is sourced from PubChem (CID 104683632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).