(4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine

C12H20N2 — CID 89073961

IUPAC(4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine
SMILESC=C(CN)C/C=C\C=C/C(=C)NCC
InChIInChI=1S/C12H20N2/c1-4-14-12(3)9-7-5-6-8-11(2)10-13/h5-7,9,14H,2-4,8,10,13H2,1H3/b6-5-,9-7-
InChIKeyKYWLRCZOMSPGBO-LZWBOMALSA-N
MW192.31 g/mol
LogP2.13
Rot. Bonds7

About (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine

(4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine (PubChem CID 89073961) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine.

Molecular Properties

Compound Name(4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine
PubChem CID89073961
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine
SMILESC=C(CN)C/C=C\C=C/C(=C)NCC
InChIInChI=1S/C12H20N2/c1-4-14-12(3)9-7-5-6-8-11(2)10-13/h5-7,9,14H,2-4,8,10,13H2,1H3/b6-5-,9-7-
InChIKeyKYWLRCZOMSPGBO-LZWBOMALSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-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 (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine?
The IUPAC name of (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine (CID 89073961) is (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine.
What is the SMILES notation for (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine?
The canonical SMILES for (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine is C=C(CN)C/C=C\C=C/C(=C)NCC.
What is the InChIKey of (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine?
The InChIKey is KYWLRCZOMSPGBO-LZWBOMALSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-14-12(3)9-7-5-6-8-11(2)10-13/h5-7,9,14H,2-4,8,10,13H2,1H3/b6-5-,9-7-.
What are the key properties of (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine?
(4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-8-N-ethyl-2-methylidenenona-4,6,8-triene-1,8-diamine is sourced from PubChem (CID 89073961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).