N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide

C16H17N3 — CID 143629086

IUPACN'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide
SMILESCN/N=C(\N)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C16H17N3/c1-18-19-16(17)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-12,18H,1H3,(H2,17,19)/b12-11+
InChIKeyWHDMQMULUJHOPI-VAWYXSNFSA-N
MW251.33 g/mol
LogP2.70
Rot. Bonds4

About N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide

N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide (PubChem CID 143629086) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide
PubChem CID143629086
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide
SMILESCN/N=C(\N)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C16H17N3/c1-18-19-16(17)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-12,18H,1H3,(H2,17,19)/b12-11+
InChIKeyWHDMQMULUJHOPI-VAWYXSNFSA-N
XLogP2.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
2-[2-(4-fluorophenyl)ethenyl]-N'-phenylbenzenecarboximidamide
CID 175026148
2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide
CID 143686503
1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
CID 67279232
carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium
CID 11090970
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110
ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate
CID 134869594
N-(4-ethylphenyl)-2-[(E)-2-phenylethenyl]benzamide
CID 72696812
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
CID 162206940

Frequently Asked Questions

What is the IUPAC name of N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide?
The IUPAC name of N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide (CID 143629086) is N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide.
What is the SMILES notation for N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide?
The canonical SMILES for N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide is CN/N=C(\N)c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide?
The InChIKey is WHDMQMULUJHOPI-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H17N3/c1-18-19-16(17)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-12,18H,1H3,(H2,17,19)/b12-11+.
What are the key properties of N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide?
N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide has a molecular weight of 251.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide is sourced from PubChem (CID 143629086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).