3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride

C12H25ClN2O — CID 119725742

IUPAC3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(13)9-12(15)14-8-7-11-5-3-2-4-6-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyIUFNAIRGHSBURO-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.23
Rot. Bonds5

About 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride

3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride (PubChem CID 119725742) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
PubChem CID119725742
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(13)9-12(15)14-8-7-11-5-3-2-4-6-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyIUFNAIRGHSBURO-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119783145
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CID 154912241
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride (CID 119725742) is 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride is CC(N)CC(=O)NCCC1CCCCC1.Cl.
What is the InChIKey of 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride?
The InChIKey is IUFNAIRGHSBURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(13)9-12(15)14-8-7-11-5-3-2-4-6-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride?
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.23, 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-cyclohexylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119725742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).