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

C14H26N2 — CID 114541288

IUPAC9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1CCC(N2C3CCCC2CC(N)C3)C1
InChIInChI=1S/C14H26N2/c1-10-5-6-14(7-10)16-12-3-2-4-13(16)9-11(15)8-12/h10-14H,2-9,15H2,1H3
InChIKeyQPUIVKNUUILBIK-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.52
Rot. Bonds1

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

9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 114541288) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID114541288
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1CCC(N2C3CCCC2CC(N)C3)C1
InChIInChI=1S/C14H26N2/c1-10-5-6-14(7-10)16-12-3-2-4-13(16)9-11(15)8-12/h10-14H,2-9,15H2,1H3
InChIKeyQPUIVKNUUILBIK-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64734277
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
(1S,5R)-9-[(1R,5S)-7-methyl-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 90115493
8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233266
9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105943
8-(4-ethylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65085463
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 58358719
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
8-[(3-methylcyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 107415395
9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63361631

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 114541288) is 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine is CC1CCC(N2C3CCCC2CC(N)C3)C1.
What is the InChIKey of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is QPUIVKNUUILBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10-5-6-14(7-10)16-12-3-2-4-13(16)9-11(15)8-12/h10-14H,2-9,15H2,1H3.
What are the key properties of 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 114541288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).