N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide

C17H18N2 — CID 145334764

IUPACN'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
SMILESCC/C=C(\N=C(/N)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-2-9-16(14-10-5-3-6-11-14)19-17(18)15-12-7-4-8-13-15/h3-13H,2H2,1H3,(H2,18,19)/b16-9-
InChIKeySMYYWGFRHAYEDQ-SXGWCWSVSA-N
MW250.35 g/mol
LogP3.84
Rot. Bonds4

About N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide

N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide (PubChem CID 145334764) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
PubChem CID145334764
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC NameN'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
SMILESCC/C=C(\N=C(/N)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c1-2-9-16(14-10-5-3-6-11-14)19-17(18)15-12-7-4-8-13-15/h3-13H,2H2,1H3,(H2,18,19)/b16-9-
InChIKeySMYYWGFRHAYEDQ-SXGWCWSVSA-N
XLogP3.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.84
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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Related Compounds

N-[(E)-1-phenylbut-1-enyl]-1-triphenylen-2-ylpropan-1-imine
CID 138548623
N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144573951
[amino(phenyl)methylidene]carbamic acid
CID 54409873
N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide
CID 174108934
N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide
CID 138636529
1-bromobut-1-enylbenzene
CID 73187599
(Z)-N-ethyl-2-phenylpent-2-en-1-imine
CID 143898078
N'-diethylphosphanylbenzenecarboximidamide
CID 175989324
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
1-methoxybut-1-enylbenzene
CID 69305429
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide (CID 145334764) is N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide is CC/C=C(\N=C(/N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide?
The InChIKey is SMYYWGFRHAYEDQ-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-9-16(14-10-5-3-6-11-14)19-17(18)15-12-7-4-8-13-15/h3-13H,2H2,1H3,(H2,18,19)/b16-9-.
What are the key properties of N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide?
N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide has a molecular weight of 250.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 145334764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).