ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine

C12H24N2 — CID 142112883

IUPACethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine
SMILESC=C/C=C\C=C\CNCCNC.CC
InChIInChI=1S/C10H18N2.C2H6/c1-3-4-5-6-7-8-12-10-9-11-2;1-2/h3-7,11-12H,1,8-10H2,2H3;1-2H3/b5-4-,7-6+;
InChIKeyMGTYFGRGTYQKOG-YLKXMWBMSA-N
MW196.34 g/mol
LogP2.12
Rot. Bonds7

About ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine

ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine (PubChem CID 142112883) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine
PubChem CID142112883
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine
SMILESC=C/C=C\C=C\CNCCNC.CC
InChIInChI=1S/C10H18N2.C2H6/c1-3-4-5-6-7-8-12-10-9-11-2;1-2/h3-7,11-12H,1,8-10H2,2H3;1-2H3/b5-4-,7-6+;
InChIKeyMGTYFGRGTYQKOG-YLKXMWBMSA-N
XLogP2.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine 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;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine?
The IUPAC name of ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine (CID 142112883) is ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine?
The canonical SMILES for ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine is C=C/C=C\C=C\CNCCNC.CC.
What is the InChIKey of ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine?
The InChIKey is MGTYFGRGTYQKOG-YLKXMWBMSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-3-4-5-6-7-8-12-10-9-11-2;1-2/h3-7,11-12H,1,8-10H2,2H3;1-2H3/b5-4-,7-6+;.
What are the key properties of ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine?
ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 142112883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).