3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide

C21H31N3O — CID 119886001

IUPAC3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)C1
InChIInChI=1S/C21H31N3O/c22-17-8-4-7-16(11-17)21(25)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14,22H2,(H,23,25)
InChIKeyDBNCHAGZVPHHBO-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.82
Rot. Bonds4

About 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide

3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide (PubChem CID 119886001) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
PubChem CID119886001
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)C1
InChIInChI=1S/C21H31N3O/c22-17-8-4-7-16(11-17)21(25)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14,22H2,(H,23,25)
InChIKeyDBNCHAGZVPHHBO-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119885996
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
CID 120636405
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119154102
N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 43813930
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86934095
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide (CID 119886001) is 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is DBNCHAGZVPHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c22-17-8-4-7-16(11-17)21(25)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14,22H2,(H,23,25).
What are the key properties of 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide?
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119886001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).