N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride

C14H27ClN2O — CID 119478130

IUPACN-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O.ClH/c15-12-7-9-13(10-8-12)16-14(17)11-5-3-1-2-4-6-11;/h11-13H,1-10,15H2,(H,16,17);1H
InChIKeyPGSKTCNKKJLJPT-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.76
Rot. Bonds2

About N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride

N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride (PubChem CID 119478130) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
PubChem CID119478130
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O.ClH/c15-12-7-9-13(10-8-12)16-14(17)11-5-3-1-2-4-6-11;/h11-13H,1-10,15H2,(H,16,17);1H
InChIKeyPGSKTCNKKJLJPT-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-(3-aminocyclobutyl)cyclooctanecarboxamide
CID 65023112
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354
N-cyclopentylcyclobutanecarboxamide
CID 21158774
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride (CID 119478130) is N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride is Cl.NC1CCC(NC(=O)C2CCCCCC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride?
The InChIKey is PGSKTCNKKJLJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c15-12-7-9-13(10-8-12)16-14(17)11-5-3-1-2-4-6-11;/h11-13H,1-10,15H2,(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride?
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride is sourced from PubChem (CID 119478130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).