9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H30N2 — CID 64734277

IUPAC9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1CC(C)CC(N2C3CCCC2CC(N)C3)C1
InChIInChI=1S/C16H30N2/c1-11-6-12(2)8-16(7-11)18-14-4-3-5-15(18)10-13(17)9-14/h11-16H,3-10,17H2,1-2H3
InChIKeyVBNPBGQVZFAGTI-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds1

About 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 64734277) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID64734277
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1CC(C)CC(N2C3CCCC2CC(N)C3)C1
InChIInChI=1S/C16H30N2/c1-11-6-12(2)8-16(7-11)18-14-4-3-5-15(18)10-13(17)9-14/h11-16H,3-10,17H2,1-2H3
InChIKeyVBNPBGQVZFAGTI-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114541288
(1S,5R)-9-[(1R,5S)-7-methyl-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 90115493
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544
(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 58358719
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233266
7-methyl-9-azatricyclo[3.3.1.03,9]nonane
CID 59882553
8-(4-ethylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65085463
9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105943
9-(3-tricyclo[3.2.1.02,4]octanyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114095813
9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63361631
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 64734277) is 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is CC1CC(C)CC(N2C3CCCC2CC(N)C3)C1.
What is the InChIKey of 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is VBNPBGQVZFAGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-11-6-12(2)8-16(7-11)18-14-4-3-5-15(18)10-13(17)9-14/h11-16H,3-10,17H2,1-2H3.
What are the key properties of 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 64734277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).