(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine

C11H13N3 — CID 134240332

IUPAC(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine
SMILESC=N/C=C(N)\C(=N\C)c1ccccc1
InChIInChI=1S/C11H13N3/c1-13-8-10(12)11(14-2)9-6-4-3-5-7-9/h3-8H,1,12H2,2H3/b10-8+,14-11+
InChIKeyACXJTJAQIKIOIL-BOTKGMRRSA-N
MW187.25 g/mol
LogP1.61
Rot. Bonds3

About (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine

(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine (PubChem CID 134240332) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine
PubChem CID134240332
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine
SMILESC=N/C=C(N)\C(=N\C)c1ccccc1
InChIInChI=1S/C11H13N3/c1-13-8-10(12)11(14-2)9-6-4-3-5-7-9/h3-8H,1,12H2,2H3/b10-8+,14-11+
InChIKeyACXJTJAQIKIOIL-BOTKGMRRSA-N
XLogP1.61
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethene;N'-methylbenzenecarboximidamide
CID 142294327
N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine
CID 123311258
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
3-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enoic acid
CID 89343741
(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide
CID 143093080
1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
CID 159340779
(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
CID 144911563
(E)-N-methyl-3-phenylpent-2-en-1-imine
CID 177407288
N'-methyl-2-(1-phenylethenylimino)propanimidamide
CID 123327776
(Z)-2-methyl-3-methylimino-3-phenyl-1-(2-propylphenyl)prop-1-en-1-amine
CID 144888175
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354
(1-hydrazinylidene-1-phenylpropan-2-ylidene)hydrazine
CID 71413419

Frequently Asked Questions

What is the IUPAC name of (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine?
The IUPAC name of (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine (CID 134240332) is (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine?
The canonical SMILES for (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine is C=N/C=C(N)\C(=N\C)c1ccccc1.
What is the InChIKey of (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine?
The InChIKey is ACXJTJAQIKIOIL-BOTKGMRRSA-N. The full InChI is InChI=1S/C11H13N3/c1-13-8-10(12)11(14-2)9-6-4-3-5-7-9/h3-8H,1,12H2,2H3/b10-8+,14-11+.
What are the key properties of (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine?
(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine is sourced from PubChem (CID 134240332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).