N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide

C12H16N2 — CID 89164600

IUPACN'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
SMILESC/N=C/N=C(\C)CCc1ccccc1
InChIInChI=1S/C12H16N2/c1-11(14-10-13-2)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/b13-10+,14-11+
InChIKeyIQCYNKZSJZXUMJ-IFQMDVHZSA-N
MW188.27 g/mol
LogP2.74
Rot. Bonds4

About N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide

N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide (PubChem CID 89164600) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
PubChem CID89164600
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
SMILESC/N=C/N=C(\C)CCc1ccccc1
InChIInChI=1S/C12H16N2/c1-11(14-10-13-2)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/b13-10+,14-11+
InChIKeyIQCYNKZSJZXUMJ-IFQMDVHZSA-N
XLogP2.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.74
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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Related Compounds

[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
[(3E)-3-diaminophosphoryloxyiminobutyl]benzene
CID 88674892
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
(E)-N-(azepan-1-yl)-4-phenylbutan-2-imine
CID 15442581
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine
CID 159996667
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
(2E)-5-methyl-7-phenylhepta-2,4-dienal
CID 158943727

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide (CID 89164600) is N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide is C/N=C/N=C(\C)CCc1ccccc1.
What is the InChIKey of N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide?
The InChIKey is IQCYNKZSJZXUMJ-IFQMDVHZSA-N. The full InChI is InChI=1S/C12H16N2/c1-11(14-10-13-2)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/b13-10+,14-11+.
What are the key properties of N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide?
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide has a molecular weight of 188.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide is sourced from PubChem (CID 89164600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).