(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine

C10H15N3 — CID 89153792

IUPAC(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine
SMILESC=C/C=C(C=C)/C=N/C=C(/N)NC
InChIInChI=1S/C10H15N3/c1-4-6-9(5-2)7-13-8-10(11)12-3/h4-8,12H,1-2,11H2,3H3/b9-6+,10-8-,13-7+
InChIKeyXZEXLKNFSVITDE-SWBMKHOJSA-N
MW177.25 g/mol
LogP1.33
Rot. Bonds5

About (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine

(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine (PubChem CID 89153792) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine.

Molecular Properties

Compound Name(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine
PubChem CID89153792
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine
SMILESC=C/C=C(C=C)/C=N/C=C(/N)NC
InChIInChI=1S/C10H15N3/c1-4-6-9(5-2)7-13-8-10(11)12-3/h4-8,12H,1-2,11H2,3H3/b9-6+,10-8-,13-7+
InChIKeyXZEXLKNFSVITDE-SWBMKHOJSA-N
XLogP1.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
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)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine?
The IUPAC name of (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine (CID 89153792) is (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine.
What is the SMILES notation for (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine?
The canonical SMILES for (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine is C=C/C=C(C=C)/C=N/C=C(/N)NC.
What is the InChIKey of (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine?
The InChIKey is XZEXLKNFSVITDE-SWBMKHOJSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-6-9(5-2)7-13-8-10(11)12-3/h4-8,12H,1-2,11H2,3H3/b9-6+,10-8-,13-7+.
What are the key properties of (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine?
(Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine has a molecular weight of 177.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]-1-N'-methylethene-1,1-diamine is sourced from PubChem (CID 89153792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).