9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile

C13H22N2 — CID 70345771

IUPAC9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile
SMILESCC(C)CN1C2CCCC1C(C#N)CC2
InChIInChI=1S/C13H22N2/c1-10(2)9-15-12-4-3-5-13(15)11(8-14)6-7-12/h10-13H,3-7,9H2,1-2H3
InChIKeyAXJFLXFCOCJPAG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.80
Rot. Bonds2

About 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile

9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile (PubChem CID 70345771) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile.

Molecular Properties

Compound Name9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile
PubChem CID70345771
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile
SMILESCC(C)CN1C2CCCC1C(C#N)CC2
InChIInChI=1S/C13H22N2/c1-10(2)9-15-12-4-3-5-13(15)11(8-14)6-7-12/h10-13H,3-7,9H2,1-2H3
InChIKeyAXJFLXFCOCJPAG-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile 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

9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713752
2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 43585250
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile
CID 62962720
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
(3R,4R,7R)-2,8-diazatetracyclo[7.2.2.13,7.02,8]tetradecane-4-carbonitrile
CID 10488977
2-(3,3-dimethoxyazetidin-1-yl)cyclopentane-1-carbonitrile
CID 79687199
2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 61420857
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
CID 61441141
7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile
CID 21188393
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79938282
2-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
CID 43293262

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile?
The IUPAC name of 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile (CID 70345771) is 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile.
What is the SMILES notation for 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile?
The canonical SMILES for 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile is CC(C)CN1C2CCCC1C(C#N)CC2.
What is the InChIKey of 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile?
The InChIKey is AXJFLXFCOCJPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)9-15-12-4-3-5-13(15)11(8-14)6-7-12/h10-13H,3-7,9H2,1-2H3.
What are the key properties of 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile?
9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile is sourced from PubChem (CID 70345771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).