(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine

C11H19N3 — CID 126687195

IUPAC(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine
SMILES[H]/N=C/C(C)=C\C(=C(/C)N)\C(=C/C)CN
InChIInChI=1S/C11H19N3/c1-4-10(7-13)11(9(3)14)5-8(2)6-12/h4-6,12H,7,13-14H2,1-3H3/b8-5-,10-4-,11-9-,12-6+
InChIKeyWKZVFGLTESFWGV-DJJHNDDTSA-N
MW193.29 g/mol
LogP1.72
Rot. Bonds4

About (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine

(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine (PubChem CID 126687195) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine
PubChem CID126687195
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine
SMILES[H]/N=C/C(C)=C\C(=C(/C)N)\C(=C/C)CN
InChIInChI=1S/C11H19N3/c1-4-10(7-13)11(9(3)14)5-8(2)6-12/h4-6,12H,7,13-14H2,1-3H3/b8-5-,10-4-,11-9-,12-6+
InChIKeyWKZVFGLTESFWGV-DJJHNDDTSA-N
XLogP1.72
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine?
The IUPAC name of (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine (CID 126687195) is (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine.
What is the SMILES notation for (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine?
The canonical SMILES for (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine is [H]/N=C/C(C)=C\C(=C(/C)N)\C(=C/C)CN.
What is the InChIKey of (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine?
The InChIKey is WKZVFGLTESFWGV-DJJHNDDTSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-10(7-13)11(9(3)14)5-8(2)6-12/h4-6,12H,7,13-14H2,1-3H3/b8-5-,10-4-,11-9-,12-6+.
What are the key properties of (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine?
(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine is sourced from PubChem (CID 126687195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).