2-(4-methylidenecyclohexyl)ethanamine

C9H17N — CID 89029468

IUPAC2-(4-methylidenecyclohexyl)ethanamine
SMILESC=C1CCC(CCN)CC1
InChIInChI=1S/C9H17N/c1-8-2-4-9(5-3-8)6-7-10/h9H,1-7,10H2
InChIKeyPGYYCMGEEUDXAL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-methylidenecyclohexyl)ethanamine

2-(4-methylidenecyclohexyl)ethanamine (PubChem CID 89029468) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-(4-methylidenecyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylidenecyclohexyl)ethanamine
PubChem CID89029468
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-(4-methylidenecyclohexyl)ethanamine
SMILESC=C1CCC(CCN)CC1
InChIInChI=1S/C9H17N/c1-8-2-4-9(5-3-8)6-7-10/h9H,1-7,10H2
InChIKeyPGYYCMGEEUDXAL-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-methylidenecyclohexyl)ethanamine 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 2-(4-methylidenecyclohexyl)ethanamine?
The IUPAC name of 2-(4-methylidenecyclohexyl)ethanamine (CID 89029468) is 2-(4-methylidenecyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-methylidenecyclohexyl)ethanamine?
The canonical SMILES for 2-(4-methylidenecyclohexyl)ethanamine is C=C1CCC(CCN)CC1.
What is the InChIKey of 2-(4-methylidenecyclohexyl)ethanamine?
The InChIKey is PGYYCMGEEUDXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-2-4-9(5-3-8)6-7-10/h9H,1-7,10H2.
What are the key properties of 2-(4-methylidenecyclohexyl)ethanamine?
2-(4-methylidenecyclohexyl)ethanamine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenecyclohexyl)ethanamine is sourced from PubChem (CID 89029468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).