(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine

C9H14N2 — CID 166695623

IUPAC(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
SMILESC=N/C(=C/N)C(=CC)/C=C\C
InChIInChI=1S/C9H14N2/c1-4-6-8(5-2)9(7-10)11-3/h4-7H,3,10H2,1-2H3/b6-4-,8-5-,9-7+
InChIKeyJJIXCINVGWWESJ-KNPBSLPESA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds3

About (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine

(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine (PubChem CID 166695623) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
PubChem CID166695623
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
SMILESC=N/C(=C/N)C(=CC)/C=C\C
InChIInChI=1S/C9H14N2/c1-4-6-8(5-2)9(7-10)11-3/h4-7H,3,10H2,1-2H3/b6-4-,8-5-,9-7+
InChIKeyJJIXCINVGWWESJ-KNPBSLPESA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(1E)-3-N-(2-methylprop-1-enyl)-2-[(Z)-prop-1-enyl]buta-1,3-diene-1,3-diamine
CID 166877084
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
CID 142835629
N-[4,5,6,7,8,9,10,11,12,13-deca(ethylidene)hexadeca-2,14-dien-3-yl]ethanimine
CID 141245832
(2E)-2-ethylidenepent-3-enoic acid
CID 162183190
ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine?
The IUPAC name of (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine (CID 166695623) is (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine.
What is the SMILES notation for (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine?
The canonical SMILES for (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine is C=N/C(=C/N)C(=CC)/C=C\C.
What is the InChIKey of (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine?
The InChIKey is JJIXCINVGWWESJ-KNPBSLPESA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-8(5-2)9(7-10)11-3/h4-7H,3,10H2,1-2H3/b6-4-,8-5-,9-7+.
What are the key properties of (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine?
(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine is sourced from PubChem (CID 166695623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).