(1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine

C11H19N3 — CID 90453694

IUPAC(1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine
SMILES[H]/N=C(\C=C/C)C(/C)=C(\N=C)N(C)CC
InChIInChI=1S/C11H19N3/c1-6-8-10(12)9(3)11(13-4)14(5)7-2/h6,8,12H,4,7H2,1-3,5H3/b8-6-,11-9+,12-10+
InChIKeyBENFIWCHALEGGK-BSPFAPSJSA-N
MW193.29 g/mol
LogP2.47
Rot. Bonds5

About (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine

(1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine (PubChem CID 90453694) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine
PubChem CID90453694
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine
SMILES[H]/N=C(\C=C/C)C(/C)=C(\N=C)N(C)CC
InChIInChI=1S/C11H19N3/c1-6-8-10(12)9(3)11(13-4)14(5)7-2/h6,8,12H,4,7H2,1-3,5H3/b8-6-,11-9+,12-10+
InChIKeyBENFIWCHALEGGK-BSPFAPSJSA-N
XLogP2.47
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine 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 (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine?
The IUPAC name of (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine (CID 90453694) is (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine.
What is the SMILES notation for (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine?
The canonical SMILES for (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine is [H]/N=C(\C=C/C)C(/C)=C(\N=C)N(C)CC.
What is the InChIKey of (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine?
The InChIKey is BENFIWCHALEGGK-BSPFAPSJSA-N. The full InChI is InChI=1S/C11H19N3/c1-6-8-10(12)9(3)11(13-4)14(5)7-2/h6,8,12H,4,7H2,1-3,5H3/b8-6-,11-9+,12-10+.
What are the key properties of (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine?
(1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)hexa-1,4-dien-1-amine is sourced from PubChem (CID 90453694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).