(1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine

C7H12N2 — CID 89224339

IUPAC(1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine
SMILESC/C=C\C=C(N)/N=C/C
InChIInChI=1S/C7H12N2/c1-3-5-6-7(8)9-4-2/h3-6H,8H2,1-2H3/b5-3-,7-6-,9-4+
InChIKeyCJSLLELRNFUNCI-IUWICGOSSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine

(1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine (PubChem CID 89224339) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine
PubChem CID89224339
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine
SMILESC/C=C\C=C(N)/N=C/C
InChIInChI=1S/C7H12N2/c1-3-5-6-7(8)9-4-2/h3-6H,8H2,1-2H3/b5-3-,7-6-,9-4+
InChIKeyCJSLLELRNFUNCI-IUWICGOSSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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

(1E,3E,5E)-N-Methyl-5-(Methylimino)Penta-1,3-Dien-1-Amine
CID 20618387
Methyl-[5-(methylamino)penta-2,4-dienylidene]azanium
CID 57980453
N-methyl-5-methyliminopenta-1,3-dien-1-amine
CID 57980454
9-(Deuterioamino)nona-2,4,6,8-tetraenylidene-methylazanium
CID 59061811
carbanide;3H-pyridin-3-id-2-amine;tungsten(2+);yttrium
CID 59538993
N-[(1Z,3Z)-penta-1,3-dienyl]ethanimine
CID 88562545
(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
CID 88875316
(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
CID 88887838
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenamine
CID 90382047
N-penta-1,3-dienylethanimine
CID 91145253
N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
N-[(1Z,3E)-penta-1,3-dienyl]ethanimine
CID 123160200

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine (CID 89224339) is (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine is C/C=C\C=C(N)/N=C/C.
What is the InChIKey of (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine?
The InChIKey is CJSLLELRNFUNCI-IUWICGOSSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-6-7(8)9-4-2/h3-6H,8H2,1-2H3/b5-3-,7-6-,9-4+.
What are the key properties of (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine?
(1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[(E)-ethylideneamino]penta-1,3-dien-1-amine is sourced from PubChem (CID 89224339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).