ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine

C10H18N2 — CID 144731273

IUPACethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine
SMILESCC.[H]/N=C1\CCC=C\C1=C(/C)N
InChIInChI=1S/C8H12N2.C2H6/c1-6(9)7-4-2-3-5-8(7)10;1-2/h2,4,10H,3,5,9H2,1H3;1-2H3/b7-6-,10-8+;
InChIKeyCXYNDSUQOQINBI-ZGSKTAACSA-N
MW166.27 g/mol
LogP2.62
Rot. Bonds

About ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine

ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine (PubChem CID 144731273) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine.

Molecular Properties

Compound Nameethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine
PubChem CID144731273
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine
SMILESCC.[H]/N=C1\CCC=C\C1=C(/C)N
InChIInChI=1S/C8H12N2.C2H6/c1-6(9)7-4-2-3-5-8(7)10;1-2/h2,4,10H,3,5,9H2,1H3;1-2H3/b7-6-,10-8+;
InChIKeyCXYNDSUQOQINBI-ZGSKTAACSA-N
XLogP2.62
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)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 ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine?
The IUPAC name of ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine (CID 144731273) is ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine.
What is the SMILES notation for ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine?
The canonical SMILES for ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine is CC.[H]/N=C1\CCC=C\C1=C(/C)N.
What is the InChIKey of ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine?
The InChIKey is CXYNDSUQOQINBI-ZGSKTAACSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-6(9)7-4-2-3-5-8(7)10;1-2/h2,4,10H,3,5,9H2,1H3;1-2H3/b7-6-,10-8+;.
What are the key properties of ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine?
ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine has a molecular weight of 166.27 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine is sourced from PubChem (CID 144731273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).