(3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine

C13H20N2 — CID 155014971

IUPAC(3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine
SMILESC=C/C(=C/C)C(C(=C)N)=C(C)N=C(C)C
InChIInChI=1S/C13H20N2/c1-7-12(8-2)13(10(5)14)11(6)15-9(3)4/h7-8H,1,5,14H2,2-4,6H3/b12-8-,13-11+
InChIKeyMKAASPQNNSKGFV-SYUORULGSA-N
MW204.32 g/mol
LogP3.35
Rot. Bonds4

About (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine

(3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine (PubChem CID 155014971) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine
PubChem CID155014971
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine
SMILESC=C/C(=C/C)C(C(=C)N)=C(C)N=C(C)C
InChIInChI=1S/C13H20N2/c1-7-12(8-2)13(10(5)14)11(6)15-9(3)4/h7-8H,1,5,14H2,2-4,6H3/b12-8-,13-11+
InChIKeyMKAASPQNNSKGFV-SYUORULGSA-N
XLogP3.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine?
The IUPAC name of (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine (CID 155014971) is (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine.
What is the SMILES notation for (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine?
The canonical SMILES for (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine is C=C/C(=C/C)C(C(=C)N)=C(C)N=C(C)C.
What is the InChIKey of (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine?
The InChIKey is MKAASPQNNSKGFV-SYUORULGSA-N. The full InChI is InChI=1S/C13H20N2/c1-7-12(8-2)13(10(5)14)11(6)15-9(3)4/h7-8H,1,5,14H2,2-4,6H3/b12-8-,13-11+.
What are the key properties of (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine?
(3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-4-ethenyl-3-[1-(propan-2-ylideneamino)ethylidene]hexa-1,4-dien-2-amine is sourced from PubChem (CID 155014971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).