(1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine

C9H14N2 — CID 139402866

IUPAC(1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine
SMILESC=CC(/C=C/N)=C(C)/C=N/C
InChIInChI=1S/C9H14N2/c1-4-9(5-6-10)8(2)7-11-3/h4-7H,1,10H2,2-3H3/b6-5+,9-8-,11-7+
InChIKeyPSKWGXKBZRHFTI-GKRNZOCQSA-N
MW150.22 g/mol
LogP1.66
Rot. Bonds3

About (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine

(1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine (PubChem CID 139402866) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine
PubChem CID139402866
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine
SMILESC=CC(/C=C/N)=C(C)/C=N/C
InChIInChI=1S/C9H14N2/c1-4-9(5-6-10)8(2)7-11-3/h4-7H,1,10H2,2-3H3/b6-5+,9-8-,11-7+
InChIKeyPSKWGXKBZRHFTI-GKRNZOCQSA-N
XLogP1.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.66
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 (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine (CID 139402866) is (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine is C=CC(/C=C/N)=C(C)/C=N/C.
What is the InChIKey of (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine?
The InChIKey is PSKWGXKBZRHFTI-GKRNZOCQSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(5-6-10)8(2)7-11-3/h4-7H,1,10H2,2-3H3/b6-5+,9-8-,11-7+.
What are the key properties of (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine?
(1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine is sourced from PubChem (CID 139402866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).