7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine

C11H21N — CID 79330475

IUPAC7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine
SMILESCC(C)CC1(N)C2CCCCC21
InChIInChI=1S/C11H21N/c1-8(2)7-11(12)9-5-3-4-6-10(9)11/h8-10H,3-7,12H2,1-2H3
InChIKeyGDWGLICIGFVSKK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds2

About 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine

7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine (PubChem CID 79330475) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine
PubChem CID79330475
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine
SMILESCC(C)CC1(N)C2CCCCC21
InChIInChI=1S/C11H21N/c1-8(2)7-11(12)9-5-3-4-6-10(9)11/h8-10H,3-7,12H2,1-2H3
InChIKeyGDWGLICIGFVSKK-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine 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 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine (CID 79330475) is 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine is CC(C)CC1(N)C2CCCCC21.
What is the InChIKey of 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine?
The InChIKey is GDWGLICIGFVSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)7-11(12)9-5-3-4-6-10(9)11/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine?
7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79330475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).