(Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine

C12H15N3 — CID 134502480

IUPAC(Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine
SMILESC=N/C=C\C(=N/CC)C1=CC(=C)NC=C1
InChIInChI=1S/C12H15N3/c1-4-14-12(6-7-13-3)11-5-8-15-10(2)9-11/h5-9,15H,2-4H2,1H3/b7-6-,14-12+
InChIKeyDNOLUQMLZJAUNS-UCTGSFMMSA-N
MW201.27 g/mol
LogP2.22
Rot. Bonds4

About (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine

(Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine (PubChem CID 134502480) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine
PubChem CID134502480
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine
SMILESC=N/C=C\C(=N/CC)C1=CC(=C)NC=C1
InChIInChI=1S/C12H15N3/c1-4-14-12(6-7-13-3)11-5-8-15-10(2)9-11/h5-9,15H,2-4H2,1H3/b7-6-,14-12+
InChIKeyDNOLUQMLZJAUNS-UCTGSFMMSA-N
XLogP2.22
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.22
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

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(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(1E,3E)-N-[3-[[(E)-4-ethenylhex-4-en-3-ylidene]amino]prop-1-en-2-yl]-4-fluorohexa-1,3,5-trien-1-amine
CID 135161473
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
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N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
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(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
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N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
(2E,4E)-N-[[3-[(Z)-but-1-enyl]imino-4-iminocyclohexa-1,5-dien-1-yl]methyl]-5-fluoro-4-methylhepta-2,4,6-trien-3-amine
CID 176561633

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine (CID 134502480) is (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine is C=N/C=C\C(=N/CC)C1=CC(=C)NC=C1.
What is the InChIKey of (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine?
The InChIKey is DNOLUQMLZJAUNS-UCTGSFMMSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-14-12(6-7-13-3)11-5-8-15-10(2)9-11/h5-9,15H,2-4H2,1H3/b7-6-,14-12+.
What are the key properties of (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine?
(Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine has a molecular weight of 201.27 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 (Z)-N-ethyl-N'-methylidene-1-(2-methylidene-1H-pyridin-4-yl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 134502480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).