3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C14H25N3O — CID 61235917

IUPAC3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESNC1CC2CCC(C1)N2C(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O/c15-10-8-12-6-7-13(9-10)17(12)14(18)16-11-4-2-1-3-5-11/h10-13H,1-9,15H2,(H,16,18)
InChIKeySLTABZMKYSSBCN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.98
Rot. Bonds1

About 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide

3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 61235917) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID61235917
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESNC1CC2CCC(C1)N2C(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O/c15-10-8-12-6-7-13(9-10)17(12)14(18)16-11-4-2-1-3-5-11/h10-13H,1-9,15H2,(H,16,18)
InChIKeySLTABZMKYSSBCN-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-3-acetamido-N-cyclohexyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467257
(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467268
N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610411
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68876252
3-amino-N-cyclohexyl-5-methylpiperidine-1-carboxamide
CID 79993898
1-cyclohexyl-3-[(1S,5S)-8-(cyclohexylcarbamothioyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 98111296
(1S,5R)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467265
(1S,5S)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467264
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-amino-N-cyclohexyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269134
(2S,3aS,7aR)-1-(cyclohexylcarbamoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124710440

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 61235917) is 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide is NC1CC2CCC(C1)N2C(=O)NC1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is SLTABZMKYSSBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-10-8-12-6-7-13(9-10)17(12)14(18)16-11-4-2-1-3-5-11/h10-13H,1-9,15H2,(H,16,18).
What are the key properties of 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 61235917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).