9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

C17H32N2 — CID 55105943

IUPAC9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCC1CCC(N2C3CCCC2CC(N)C3)CC1
InChIInChI=1S/C17H32N2/c1-2-4-13-7-9-15(10-8-13)19-16-5-3-6-17(19)12-14(18)11-16/h13-17H,2-12,18H2,1H3
InChIKeyJDFVQMDAJPLMQI-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.69
Rot. Bonds3

About 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55105943) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55105943
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCC1CCC(N2C3CCCC2CC(N)C3)CC1
InChIInChI=1S/C17H32N2/c1-2-4-13-7-9-15(10-8-13)19-16-5-3-6-17(19)12-14(18)11-16/h13-17H,2-12,18H2,1H3
InChIKeyJDFVQMDAJPLMQI-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine 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

8-(4-ethylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65085463
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114541288
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740147
8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65077683
9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64734277
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
[1-(4-propylcycloheptyl)piperidin-4-yl]methanamine
CID 65088785
(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 58358719
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712593

Frequently Asked Questions

What is the IUPAC name of 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 55105943) is 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCCC1CCC(N2C3CCCC2CC(N)C3)CC1.
What is the InChIKey of 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is JDFVQMDAJPLMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-4-13-7-9-15(10-8-13)19-16-5-3-6-17(19)12-14(18)11-16/h13-17H,2-12,18H2,1H3.
What are the key properties of 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 264.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55105943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).