N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide

C16H18N2 — CID 166723339

IUPACN'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide
SMILESC/N=C(\N=C(/C)C1=CC=C(C)C1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-12-9-10-15(11-12)13(2)18-16(17-3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3/b17-16-,18-13+
InChIKeyWRFZWOMVOBOTEH-GLQARNANSA-N
MW238.33 g/mol
LogP3.80
Rot. Bonds2

About N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide

N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide (PubChem CID 166723339) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide
PubChem CID166723339
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide
SMILESC/N=C(\N=C(/C)C1=CC=C(C)C1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-12-9-10-15(11-12)13(2)18-16(17-3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3/b17-16-,18-13+
InChIKeyWRFZWOMVOBOTEH-GLQARNANSA-N
XLogP3.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
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

N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
CID 142597638
N'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyl-1-oxobut-3-en-2-yl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 143925283
2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
CID 6536929
N-[[3-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]methyl]-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide
CID 155039351
N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
CID 145365910
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144573951
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391
3-[(2Z)-1-amino-2-phenyl-2-(3-phenyl-2H-isoquinolin-1-ylidene)ethyl]-N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethylidene]-N'-[1-(4-methylphenyl)ethenyl]benzenecarboximidamide
CID 145313153
N-[(E)-1,2-diphenylethenyl]-1-phenylethanimine
CID 14709228
N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine
CID 177445849

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide?
The IUPAC name of N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide (CID 166723339) is N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide is C/N=C(\N=C(/C)C1=CC=C(C)C1)c1ccccc1.
What is the InChIKey of N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide?
The InChIKey is WRFZWOMVOBOTEH-GLQARNANSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-9-10-15(11-12)13(2)18-16(17-3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3/b17-16-,18-13+.
What are the key properties of N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide?
N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide has a molecular weight of 238.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-(4-methylcyclopenta-1,3-dien-1-yl)ethylidene]benzenecarboximidamide is sourced from PubChem (CID 166723339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).