ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine

C14H32N2 — CID 142040698

IUPACethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
SMILESC/C=C(\C=C(/CC)CNC)CN.CC.CC
InChIInChI=1S/C10H20N2.2C2H6/c1-4-9(7-11)6-10(5-2)8-12-3;2*1-2/h4,6,12H,5,7-8,11H2,1-3H3;2*1-2H3/b9-4+,10-6+;;
InChIKeyKIESCDQPCRTWNB-GFGQVBHTSA-N
MW228.42 g/mol
LogP3.50
Rot. Bonds5

About ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine

ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine (PubChem CID 142040698) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine.

Molecular Properties

Compound Nameethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
PubChem CID142040698
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
SMILESC/C=C(\C=C(/CC)CNC)CN.CC.CC
InChIInChI=1S/C10H20N2.2C2H6/c1-4-9(7-11)6-10(5-2)8-12-3;2*1-2/h4,6,12H,5,7-8,11H2,1-3H3;2*1-2H3/b9-4+,10-6+;;
InChIKeyKIESCDQPCRTWNB-GFGQVBHTSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-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;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine?
The IUPAC name of ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine (CID 142040698) is ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine.
What is the SMILES notation for ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine?
The canonical SMILES for ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine is C/C=C(\C=C(/CC)CNC)CN.CC.CC.
What is the InChIKey of ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine?
The InChIKey is KIESCDQPCRTWNB-GFGQVBHTSA-N. The full InChI is InChI=1S/C10H20N2.2C2H6/c1-4-9(7-11)6-10(5-2)8-12-3;2*1-2/h4,6,12H,5,7-8,11H2,1-3H3;2*1-2H3/b9-4+,10-6+;;.
What are the key properties of ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine?
ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine is sourced from PubChem (CID 142040698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).