(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine

C8H12N2 — CID 123299110

IUPAC(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine
SMILESC=CC(/C=C\N=C\C)=C/N
InChIInChI=1S/C8H12N2/c1-3-8(7-9)5-6-10-4-2/h3-7H,1,9H2,2H3/b6-5-,8-7-,10-4+
InChIKeyVBXYYDHUZRJJCV-HDOMEZFESA-N
MW136.20 g/mol
LogP1.62
Rot. Bonds3

About (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine

(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine (PubChem CID 123299110) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine
PubChem CID123299110
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine
SMILESC=CC(/C=C\N=C\C)=C/N
InChIInChI=1S/C8H12N2/c1-3-8(7-9)5-6-10-4-2/h3-7H,1,9H2,2H3/b6-5-,8-7-,10-4+
InChIKeyVBXYYDHUZRJJCV-HDOMEZFESA-N
XLogP1.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.62
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

(2E)-2-[(ethylideneamino)methylidene]-N-fluorobut-3-en-1-amine
CID 89520822
3H-pyridin-4-ylidenemethanamine
CID 70072770
N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 88228740
(Z)-2-(2-methylidenebutylideneamino)ethenamine
CID 88273445
(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
CID 88579811
N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
CID 88884962
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
(Z)-3-(2-methylprop-1-enylimino)prop-1-en-1-amine
CID 89075506
(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine
CID 89083368
N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593
(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 89142453
(E)-4-(ethylideneamino)but-3-en-1-amine
CID 89257831

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine (CID 123299110) is (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine is C=CC(/C=C\N=C\C)=C/N.
What is the InChIKey of (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine?
The InChIKey is VBXYYDHUZRJJCV-HDOMEZFESA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8(7-9)5-6-10-4-2/h3-7H,1,9H2,2H3/b6-5-,8-7-,10-4+.
What are the key properties of (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine?
(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 123299110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).