9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H30N2 — CID 64742631

IUPAC9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC1CCCC(N2C3CCCC2CC(N)C3)C1
InChIInChI=1S/C16H30N2/c1-2-12-5-3-6-14(9-12)18-15-7-4-8-16(18)11-13(17)10-15/h12-16H,2-11,17H2,1H3
InChIKeyXYYJRCUMRWMDEW-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.30
Rot. Bonds2

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

9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 64742631) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID64742631
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC1CCCC(N2C3CCCC2CC(N)C3)C1
InChIInChI=1S/C16H30N2/c1-2-12-5-3-6-14(9-12)18-15-7-4-8-16(18)11-13(17)10-15/h12-16H,2-11,17H2,1H3
InChIKeyXYYJRCUMRWMDEW-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105943
9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64734277
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114541288
8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233266
ethane;3-ethylcyclohexan-1-amine
CID 164855900
(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 58358719
8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65077683
(1S,5R)-9-[(1R,5S)-7-methyl-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 90115493
1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole
CID 64743596
ethylcyclobutane;methanamine
CID 175532329

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 64742631) is 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCC1CCCC(N2C3CCCC2CC(N)C3)C1.
What is the InChIKey of 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is XYYJRCUMRWMDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-12-5-3-6-14(9-12)18-15-7-4-8-16(18)11-13(17)10-15/h12-16H,2-11,17H2,1H3.
What are the key properties of 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 64742631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).