4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide

C17H19N3 — CID 170072925

IUPAC4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNC(=C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N3/c1-12-3-7-15(8-4-12)13(2)20-11-14-5-9-16(10-6-14)17(18)19/h3-10,20H,2,11H2,1H3,(H3,18,19)
InChIKeyQKYCAZFTYFJBPJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.04
Rot. Bonds5

About 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide

4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide (PubChem CID 170072925) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide
PubChem CID170072925
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNC(=C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N3/c1-12-3-7-15(8-4-12)13(2)20-11-14-5-9-16(10-6-14)17(18)19/h3-10,20H,2,11H2,1H3,(H3,18,19)
InChIKeyQKYCAZFTYFJBPJ-UHFFFAOYSA-N
XLogP3.04
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
2-acetamido-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 70335688
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-prop-2-enylbenzenecarboximidamide
CID 67813760
4-[3-(4-methylphenyl)prop-2-ynylamino]benzenecarboximidamide
CID 18404821
N-[(4-carbamimidoylphenyl)methyl]piperidine-1-carboxamide
CID 79155826
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
benzenecarboximidamide;toluene
CID 158219006
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
1-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-4-(4-methylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 153286611
4-[[[(E)-4-oxo-5-phenylpent-2-en-3-yl]amino]methyl]benzenecarboximidamide
CID 91469012

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide (CID 170072925) is 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CNC(=C)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide?
The InChIKey is QKYCAZFTYFJBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-3-7-15(8-4-12)13(2)20-11-14-5-9-16(10-6-14)17(18)19/h3-10,20H,2,11H2,1H3,(H3,18,19).
What are the key properties of 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide?
4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 170072925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).