(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine

C13H16N2O — CID 143761359

IUPAC(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine
SMILESC/N=C/C(N)=C\C(=C\OC)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-15-9-13(14)8-12(10-16-2)11-6-4-3-5-7-11/h3-10H,14H2,1-2H3/b12-10-,13-8+,15-9+
InChIKeySPMLSBMNSANCNQ-DOCFOJKTSA-N
MW216.28 g/mol
LogP2.22
Rot. Bonds4

About (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine

(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine (PubChem CID 143761359) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine
PubChem CID143761359
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine
SMILESC/N=C/C(N)=C\C(=C\OC)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-15-9-13(14)8-12(10-16-2)11-6-4-3-5-7-11/h3-10H,14H2,1-2H3/b12-10-,13-8+,15-9+
InChIKeySPMLSBMNSANCNQ-DOCFOJKTSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-2-(benzylideneamino)-3-methoxyprop-2-enenitrile
CID 5468840
1-(4-fluorophenyl)-N-[(Z)-1-methoxyprop-1-en-2-yl]methanimine
CID 144229311
3-Amino-2-(benzylideneamino)-3-methoxyacrylonitrile
CID 3005148
2-(Ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile
CID 54208244
(2Z)-2-(ethoxymethylidene)-4-phenylpyrrole-3-carbonitrile
CID 69714624
[(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine
CID 71188155
(1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine
CID 89206609
methanamine;N-(2-methoxyethyl)-1-phenylmethanimine
CID 143306281
(E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine
CID 143937115
methyl methanimidate;N-methyl-3-phenylpropan-1-imine
CID 144111037
(1Z,3Z)-N-chloro-N-(methylideneamino)-5-[(2E,4E)-5-(3-phenylpropoxy)penta-2,4-dien-2-yl]iminopenta-1,3-dien-1-amine;methanamine
CID 145386342
N-[(1E)-3-methyl-1-[(E)-2-methyl-3-phenylprop-1-enoxy]buta-1,3-dienyl]methanimine
CID 145649014

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine (CID 143761359) is (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine is C/N=C/C(N)=C\C(=C\OC)c1ccccc1.
What is the InChIKey of (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine?
The InChIKey is SPMLSBMNSANCNQ-DOCFOJKTSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-9-13(14)8-12(10-16-2)11-6-4-3-5-7-11/h3-10H,14H2,1-2H3/b12-10-,13-8+,15-9+.
What are the key properties of (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine?
(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine has a molecular weight of 216.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine is sourced from PubChem (CID 143761359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).