N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride

C16H31ClN2O — CID 119603444

IUPACN-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-12(10-13-6-3-2-4-7-13)16(19)18-15-9-5-8-14(15)11-17;/h12-15H,2-11,17H2,1H3,(H,18,19);1H
InChIKeyYQTOAWXAPBXYJU-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride (PubChem CID 119603444) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
PubChem CID119603444
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-12(10-13-6-3-2-4-7-13)16(19)18-15-9-5-8-14(15)11-17;/h12-15H,2-11,17H2,1H3,(H,18,19);1H
InChIKeyYQTOAWXAPBXYJU-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide
CID 119603538
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclopentan-1-amine
CID 81384627
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310394
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308995
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119612567

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride (CID 119603444) is N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride is CC(CC1CCCCC1)C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride?
The InChIKey is YQTOAWXAPBXYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-12(10-13-6-3-2-4-7-13)16(19)18-15-9-5-8-14(15)11-17;/h12-15H,2-11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119603444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).