(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide

C19H24N2 — CID 129169649

IUPAC(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
SMILESC=C/N=C(/C=C1/C=CC(C=C(C)C)=CC1)NC(=C)C1CC1
InChIInChI=1S/C19H24N2/c1-5-20-19(21-15(4)18-10-11-18)13-17-8-6-16(7-9-17)12-14(2)3/h5-8,12-13,18H,1,4,9-11H2,2-3H3,(H,20,21)/b17-13-
InChIKeyMOVCACRGPVTDHN-LGMDPLHJSA-N
MW280.42 g/mol
LogP4.82
Rot. Bonds5

About (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide

(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide (PubChem CID 129169649) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide.

Molecular Properties

Compound Name(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
PubChem CID129169649
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
SMILESC=C/N=C(/C=C1/C=CC(C=C(C)C)=CC1)NC(=C)C1CC1
InChIInChI=1S/C19H24N2/c1-5-20-19(21-15(4)18-10-11-18)13-17-8-6-16(7-9-17)12-14(2)3/h5-8,12-13,18H,1,4,9-11H2,2-3H3,(H,20,21)/b17-13-
InChIKeyMOVCACRGPVTDHN-LGMDPLHJSA-N
XLogP4.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine
CID 137031858
(2Z)-2-amino-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 144398211
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
N-(1-cyclopropylidene-3-methylpentyl)-2,3-dihydropyridin-6-amine
CID 123649739
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
CID 134214393
(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide
CID 134377458
(3Z)-N-ethenyl-5-propan-2-yl-3-prop-2-enylidene-1H-pyrrol-2-imine
CID 137255175
5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine
CID 143620488

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide?
The IUPAC name of (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide (CID 129169649) is (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide.
What is the SMILES notation for (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide?
The canonical SMILES for (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide is C=C/N=C(/C=C1/C=CC(C=C(C)C)=CC1)NC(=C)C1CC1.
What is the InChIKey of (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide?
The InChIKey is MOVCACRGPVTDHN-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H24N2/c1-5-20-19(21-15(4)18-10-11-18)13-17-8-6-16(7-9-17)12-14(2)3/h5-8,12-13,18H,1,4,9-11H2,2-3H3,(H,20,21)/b17-13-.
What are the key properties of (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide?
(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide has a molecular weight of 280.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide is sourced from PubChem (CID 129169649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).