N'-benzylpropanimidamide

C10H14N2 — CID 45122449

IUPACN'-benzylpropanimidamide
SMILESCC/C(N)=N\Cc1ccccc1
InChIInChI=1S/C10H14N2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12)
InChIKeyCBOYJFTZBXFGRZ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.95
Rot. Bonds3

About N'-benzylpropanimidamide

N'-benzylpropanimidamide (PubChem CID 45122449) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N'-benzylpropanimidamide.

Molecular Properties

Compound NameN'-benzylpropanimidamide
PubChem CID45122449
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN'-benzylpropanimidamide
SMILESCC/C(N)=N\Cc1ccccc1
InChIInChI=1S/C10H14N2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12)
InChIKeyCBOYJFTZBXFGRZ-UHFFFAOYSA-N
XLogP1.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.95
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'}

Analyze N'-benzylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-2-hydroxyethanimidamide
CID 90668671
N'-[(3-bromophenyl)methyl]propanimidamide
CID 63177432
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
N'-(3-phenylpropyl)propanimidamide
CID 62049417
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075
benzyl 3-(1-aminopropylideneamino)propanoate
CID 166816897
2-benzyl-1-propoxyguanidine
CID 130609795
2-benzyl-1-butan-2-yl-1-methylguanidine
CID 130159853
CID 13440858
CID 13440858
N'-(1H-pyrazol-4-ylmethyl)propanimidamide
CID 63177896
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187

Frequently Asked Questions

What is the IUPAC name of N'-benzylpropanimidamide?
The IUPAC name of N'-benzylpropanimidamide (CID 45122449) is N'-benzylpropanimidamide.
What is the SMILES notation for N'-benzylpropanimidamide?
The canonical SMILES for N'-benzylpropanimidamide is CC/C(N)=N\Cc1ccccc1.
What is the InChIKey of N'-benzylpropanimidamide?
The InChIKey is CBOYJFTZBXFGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12).
What are the key properties of N'-benzylpropanimidamide?
N'-benzylpropanimidamide has a molecular weight of 162.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylpropanimidamide is sourced from PubChem (CID 45122449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).