(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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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).