N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide

C12H15N3 — CID 63175750

IUPACN'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\Cc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3/c1-9(2)12(14)15-8-11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3,(H2,14,15)
InChIKeyFSZVEWFKBQRLET-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.07
Rot. Bonds3

About N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide

N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide (PubChem CID 63175750) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide
PubChem CID63175750
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\Cc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3/c1-9(2)12(14)15-8-11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3,(H2,14,15)
InChIKeyFSZVEWFKBQRLET-UHFFFAOYSA-N
XLogP2.07
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

2-[(4-cyanophenyl)methyl]-1-(2,6-diethylphenyl)guanidine
CID 111052309
2-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111052316
2-[(4-cyanophenyl)methyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111125966
2-[(4-cyanophenyl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000530
2-[(4-cyanophenyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110911948
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
CID 63248055
4-[(aminodiazenyl)methyl]benzonitrile
CID 89365702
4-(2-hydroxypropyl)benzonitrile
CID 66671297
2-[(4-cyanophenyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110915996
4-[(Z)-2-amino-5-chlorohex-2-enyl]benzonitrile
CID 163949845
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
CID 115664791
4-(3-hydroxybutyl)benzonitrile
CID 115110861

Frequently Asked Questions

What is the IUPAC name of N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide?
The IUPAC name of N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide (CID 63175750) is N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide is CC(C)/C(N)=N\Cc1ccc(C#N)cc1.
What is the InChIKey of N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide?
The InChIKey is FSZVEWFKBQRLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(2)12(14)15-8-11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3,(H2,14,15).
What are the key properties of N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide?
N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide has a molecular weight of 201.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide is sourced from PubChem (CID 63175750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).