4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide

C14H25N3O — CID 54928054

IUPAC4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H25N3O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h10-13H,1-9,15H2,(H,16,18)
InChIKeyZNAVCFQEGJDHHY-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.71
Rot. Bonds2

About 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide

4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide (PubChem CID 54928054) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide
PubChem CID54928054
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H25N3O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h10-13H,1-9,15H2,(H,16,18)
InChIKeyZNAVCFQEGJDHHY-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide
CID 24695324
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
CID 16794770
N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide
CID 18072827
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
CID 60687389
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide
CID 62340806
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide
CID 24703971
1-azabicyclo[2.2.2]octan-3-ylcarbamodithioic acid
CID 118728052
2-[1-azabicyclo[2.2.2]octan-3-ylcarbamoyl(methyl)amino]propanoic acid
CID 62639370

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide (CID 54928054) is 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide is NC1CCC(C(=O)NC2CN3CCC2CC3)CC1.
What is the InChIKey of 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is ZNAVCFQEGJDHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h10-13H,1-9,15H2,(H,16,18).
What are the key properties of 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide?
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54928054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).