N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide

C26H27N3 — CID 134361048

IUPACN'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide
SMILESC=Cc1ccccc1C(=C)N(Cc1ccccc1CC)/C(=N\N)c1ccccc1
InChIInChI=1S/C26H27N3/c1-4-21-13-9-10-17-24(21)19-29(26(28-27)23-15-7-6-8-16-23)20(3)25-18-12-11-14-22(25)5-2/h5-18H,2-4,19,27H2,1H3/b28-26-
InChIKeyXRSGBALPMJAAEJ-SGEDCAFJSA-N
MW381.52 g/mol
LogP5.69
Rot. Bonds7

About N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide

N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide (PubChem CID 134361048) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide
PubChem CID134361048
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC NameN'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide
SMILESC=Cc1ccccc1C(=C)N(Cc1ccccc1CC)/C(=N\N)c1ccccc1
InChIInChI=1S/C26H27N3/c1-4-21-13-9-10-17-24(21)19-29(26(28-27)23-15-7-6-8-16-23)20(3)25-18-12-11-14-22(25)5-2/h5-18H,2-4,19,27H2,1H3/b28-26-
InChIKeyXRSGBALPMJAAEJ-SGEDCAFJSA-N
XLogP5.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenylphenyl)-N-ethyl-N-methylethenamine
CID 155207215
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
2-ethenylbenzoic acid;prop-1-en-2-ylbenzene
CID 174866821
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
2-(2-ethenylphenyl)-N,N-diethylacetamide
CID 122394792
1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 172775927
benzoic acid;2-ethenylbenzoic acid
CID 158841861
N'-amino-2-ethylbenzenecarboximidamide
CID 54190034
3-ethenyl-2-ethylbenzoic acid
CID 70289721

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide (CID 134361048) is N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide is C=Cc1ccccc1C(=C)N(Cc1ccccc1CC)/C(=N\N)c1ccccc1.
What is the InChIKey of N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide?
The InChIKey is XRSGBALPMJAAEJ-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H27N3/c1-4-21-13-9-10-17-24(21)19-29(26(28-27)23-15-7-6-8-16-23)20(3)25-18-12-11-14-22(25)5-2/h5-18H,2-4,19,27H2,1H3/b28-26-.
What are the key properties of N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide?
N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide has a molecular weight of 381.52 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-[1-(2-ethenylphenyl)ethenyl]-N-[(2-ethylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 134361048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).