(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine

C12H24N2 — CID 115020856

IUPAC(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
SMILESCN1CC2CC(C)(C)CC(C1)C2CN
InChIInChI=1S/C12H24N2/c1-12(2)4-9-7-14(3)8-10(5-12)11(9)6-13/h9-11H,4-8,13H2,1-3H3
InChIKeyBLKRZDXWYLPICB-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.56
Rot. Bonds1

About (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine

(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine (PubChem CID 115020856) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine.

Molecular Properties

Compound Name(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
PubChem CID115020856
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
SMILESCN1CC2CC(C)(C)CC(C1)C2CN
InChIInChI=1S/C12H24N2/c1-12(2)4-9-7-14(3)8-10(5-12)11(9)6-13/h9-11H,4-8,13H2,1-3H3
InChIKeyBLKRZDXWYLPICB-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
The IUPAC name of (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine (CID 115020856) is (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine.
What is the SMILES notation for (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
The canonical SMILES for (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine is CN1CC2CC(C)(C)CC(C1)C2CN.
What is the InChIKey of (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
The InChIKey is BLKRZDXWYLPICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2)4-9-7-14(3)8-10(5-12)11(9)6-13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine is sourced from PubChem (CID 115020856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).