4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride

C13H25ClN2O — CID 165437685

IUPAC4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C13H24N2O.ClH/c14-9-10-5-7-11(8-6-10)13(16)15-12-3-1-2-4-12;/h10-12H,1-9,14H2,(H,15,16);1H
InChIKeySXFJFLQWQKLNRT-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.23
Rot. Bonds3

About 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride

4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 165437685) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
PubChem CID165437685
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C13H24N2O.ClH/c14-9-10-5-7-11(8-6-10)13(16)15-12-3-1-2-4-12;/h10-12H,1-9,14H2,(H,15,16);1H
InChIKeySXFJFLQWQKLNRT-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
CID 104694630
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide
CID 79526988
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride (CID 165437685) is 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride is Cl.NCC1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SXFJFLQWQKLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-9-10-5-7-11(8-6-10)13(16)15-12-3-1-2-4-12;/h10-12H,1-9,14H2,(H,15,16);1H.
What are the key properties of 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride?
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 165437685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).