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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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).