N-(4-aminocyclohexyl)azepane-1-carboxamide

C13H25N3O — CID 79152451

IUPACN-(4-aminocyclohexyl)azepane-1-carboxamide
SMILESNC1CCC(NC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H25N3O/c14-11-5-7-12(8-6-11)15-13(17)16-9-3-1-2-4-10-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyYXJFPYRCMVFOLR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds1

About N-(4-aminocyclohexyl)azepane-1-carboxamide

N-(4-aminocyclohexyl)azepane-1-carboxamide (PubChem CID 79152451) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)azepane-1-carboxamide
PubChem CID79152451
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(4-aminocyclohexyl)azepane-1-carboxamide
SMILESNC1CCC(NC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H25N3O/c14-11-5-7-12(8-6-11)15-13(17)16-9-3-1-2-4-10-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyYXJFPYRCMVFOLR-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-(3-aminocyclobutyl)pyrrolidine-1-carboxamide
CID 79161437
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
N-(1-oxothian-4-yl)piperidine-1-carboxamide
CID 104594568
N-(4-oxocyclohexyl)piperidine-1-carboxamide
CID 79155633
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
CID 142009370
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
CID 79161033

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)azepane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)azepane-1-carboxamide (CID 79152451) is N-(4-aminocyclohexyl)azepane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)azepane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)azepane-1-carboxamide is NC1CCC(NC(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)azepane-1-carboxamide?
The InChIKey is YXJFPYRCMVFOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-11-5-7-12(8-6-11)15-13(17)16-9-3-1-2-4-10-16/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of N-(4-aminocyclohexyl)azepane-1-carboxamide?
N-(4-aminocyclohexyl)azepane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)azepane-1-carboxamide is sourced from PubChem (CID 79152451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).