3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride

C13H27ClN2O — CID 119783145

IUPAC3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC1CCCCC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-5-3-4-6-12(10)7-8-15-13(16)9-11(2)14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeySPBMWXOGPQJHKO-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds5

About 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride

3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride (PubChem CID 119783145) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride
PubChem CID119783145
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC1CCCCC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-5-3-4-6-12(10)7-8-15-13(16)9-11(2)14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeySPBMWXOGPQJHKO-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
2-amino-N-[2-(2-methylcyclohexyl)ethyl]-2-phenylacetamide
CID 119323339
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]butanamide;hydrochloride
CID 119821617
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride
CID 119822651
(2S,5R)-5-(aminomethyl)-N-[2-(2-methylcyclohexyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793047
3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide
CID 107418581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride (CID 119783145) is 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride is CC(N)CC(=O)NCCC1CCCCC1C.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride?
The InChIKey is SPBMWXOGPQJHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10-5-3-4-6-12(10)7-8-15-13(16)9-11(2)14;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride?
3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119783145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).