N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride

C16H31ClN2O — CID 119612593

IUPACN-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCCC1CCCC1
InChIInChI=1S/C16H30N2O.ClH/c17-12-14-9-3-4-10-15(14)18-16(19)11-5-8-13-6-1-2-7-13;/h13-15H,1-12,17H2,(H,18,19);1H
InChIKeyBBDLJAQGLSHUDM-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride (PubChem CID 119612593) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
PubChem CID119612593
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCCC1CCCC1
InChIInChI=1S/C16H30N2O.ClH/c17-12-14-9-3-4-10-15(14)18-16(19)11-5-8-13-6-1-2-7-13;/h13-15H,1-12,17H2,(H,18,19);1H
InChIKeyBBDLJAQGLSHUDM-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 103798365
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
CID 119609946
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
CID 119604432
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119602223
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
CID 119612503
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride (CID 119612593) is N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CCCC1CCCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride?
The InChIKey is BBDLJAQGLSHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c17-12-14-9-3-4-10-15(14)18-16(19)11-5-8-13-6-1-2-7-13;/h13-15H,1-12,17H2,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride is sourced from PubChem (CID 119612593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).