N-(4-aminocyclohexyl)azepane-2-carboxamide

C13H25N3O — CID 64569941

IUPACN-(4-aminocyclohexyl)azepane-2-carboxamide
SMILESNC1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C13H25N3O/c14-10-5-7-11(8-6-10)16-13(17)12-4-2-1-3-9-15-12/h10-12,15H,1-9,14H2,(H,16,17)
InChIKeyRIESWCQBYNHNMW-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.90
Rot. Bonds2

About N-(4-aminocyclohexyl)azepane-2-carboxamide

N-(4-aminocyclohexyl)azepane-2-carboxamide (PubChem CID 64569941) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)azepane-2-carboxamide
PubChem CID64569941
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(4-aminocyclohexyl)azepane-2-carboxamide
SMILESNC1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C13H25N3O/c14-10-5-7-11(8-6-10)16-13(17)12-4-2-1-3-9-15-12/h10-12,15H,1-9,14H2,(H,16,17)
InChIKeyRIESWCQBYNHNMW-UHFFFAOYSA-N
XLogP0.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentylazepane-2-carboxamide
CID 64564743
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
CID 114123094
(2R)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810216
(2S)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810217
N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 114123028
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
CID 64564001
azepane-2-carbohydrazide
CID 64570757
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)azepane-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)azepane-2-carboxamide (CID 64569941) is N-(4-aminocyclohexyl)azepane-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)azepane-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)azepane-2-carboxamide is NC1CCC(NC(=O)C2CCCCCN2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)azepane-2-carboxamide?
The InChIKey is RIESWCQBYNHNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-10-5-7-11(8-6-10)16-13(17)12-4-2-1-3-9-15-12/h10-12,15H,1-9,14H2,(H,16,17).
What are the key properties of N-(4-aminocyclohexyl)azepane-2-carboxamide?
N-(4-aminocyclohexyl)azepane-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)azepane-2-carboxamide is sourced from PubChem (CID 64569941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).