N-benzylpropan-2-imine

C10H13N — CID 3783166

IUPACN-benzylpropan-2-imine
SMILESCC(C)=NCc1ccccc1
InChIInChI=1S/C10H13N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyURUWNYQVXHOQAM-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.67
Rot. Bonds2

About N-benzylpropan-2-imine

N-benzylpropan-2-imine (PubChem CID 3783166) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-benzylpropan-2-imine.

Molecular Properties

Compound NameN-benzylpropan-2-imine
PubChem CID3783166
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-benzylpropan-2-imine
SMILESCC(C)=NCc1ccccc1
InChIInChI=1S/C10H13N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyURUWNYQVXHOQAM-UHFFFAOYSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-imine?
The IUPAC name of N-benzylpropan-2-imine (CID 3783166) is N-benzylpropan-2-imine.
What is the SMILES notation for N-benzylpropan-2-imine?
The canonical SMILES for N-benzylpropan-2-imine is CC(C)=NCc1ccccc1.
What is the InChIKey of N-benzylpropan-2-imine?
The InChIKey is URUWNYQVXHOQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-benzylpropan-2-imine?
N-benzylpropan-2-imine has a molecular weight of 147.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-imine is sourced from PubChem (CID 3783166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).