(4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine

C12H21N — CID 129180371

IUPAC(4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine
SMILESCCC1CC[C@@H](N)CCC2C=C2C1
InChIInChI=1S/C12H21N/c1-2-9-3-5-12(13)6-4-10-8-11(10)7-9/h8-10,12H,2-7,13H2,1H3/t9?,10?,12-/m1/s1
InChIKeyMVFVADJRARKSGF-RTYFJBAXSA-N
MW179.31 g/mol
LogP2.86
Rot. Bonds1

About (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine

(4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine (PubChem CID 129180371) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine.

Molecular Properties

Compound Name(4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine
PubChem CID129180371
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine
SMILESCCC1CC[C@@H](N)CCC2C=C2C1
InChIInChI=1S/C12H21N/c1-2-9-3-5-12(13)6-4-10-8-11(10)7-9/h8-10,12H,2-7,13H2,1H3/t9?,10?,12-/m1/s1
InChIKeyMVFVADJRARKSGF-RTYFJBAXSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-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 (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine?
The IUPAC name of (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine (CID 129180371) is (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine.
What is the SMILES notation for (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine?
The canonical SMILES for (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine is CCC1CC[C@@H](N)CCC2C=C2C1.
What is the InChIKey of (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine?
The InChIKey is MVFVADJRARKSGF-RTYFJBAXSA-N. The full InChI is InChI=1S/C12H21N/c1-2-9-3-5-12(13)6-4-10-8-11(10)7-9/h8-10,12H,2-7,13H2,1H3/t9?,10?,12-/m1/s1.
What are the key properties of (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine?
(4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine has a molecular weight of 179.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-ethylbicyclo[7.1.0]dec-9-en-4-amine is sourced from PubChem (CID 129180371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).