N-benzyl-1-(2-propyloxiran-2-yl)methanimine

C13H17NO — CID 12780566

IUPACN-benzyl-1-(2-propyloxiran-2-yl)methanimine
SMILESCCCC1(/C=N/Cc2ccccc2)CO1
InChIInChI=1S/C13H17NO/c1-2-8-13(11-15-13)10-14-9-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3/b14-10+
InChIKeyJZWOZIYHARGJCR-GXDHUFHOSA-N
MW203.29 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-1-(2-propyloxiran-2-yl)methanimine

N-benzyl-1-(2-propyloxiran-2-yl)methanimine (PubChem CID 12780566) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-benzyl-1-(2-propyloxiran-2-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(2-propyloxiran-2-yl)methanimine
PubChem CID12780566
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-benzyl-1-(2-propyloxiran-2-yl)methanimine
SMILESCCCC1(/C=N/Cc2ccccc2)CO1
InChIInChI=1S/C13H17NO/c1-2-8-13(11-15-13)10-14-9-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3/b14-10+
InChIKeyJZWOZIYHARGJCR-GXDHUFHOSA-N
XLogP2.83
TPSA24.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-1-(2-propyloxiran-2-yl)methanimine 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-(methoxy-2-propylidene)benzylamine
CID 71604915
N-benzyl-2-(3,7-dimethyloct-6-enoxy)ethanimine oxide
CID 170783313
N-benzyl-1-(oxolan-2-yl)methanimine oxide
CID 10398033
N-benzyloxan-2-imine
CID 14529227
5-Benzyliminopentan-1-ol
CID 130129561
N-benzyl-3-methyloxan-2-imine
CID 134893941
(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine
CID 134989630
Methoxy benzylidene-4 butylamine
CID 172876357
1-Benzyliminopropan-2-one
CID 13614140
Ethyl N-Benzylformimidate
CID 19022221
N-benzyl-4-methoxycyclohexan-1-imine
CID 19962576
N-benzyl-3-(oxan-3-yloxy)propan-1-imine
CID 20150777

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-propyloxiran-2-yl)methanimine?
The IUPAC name of N-benzyl-1-(2-propyloxiran-2-yl)methanimine (CID 12780566) is N-benzyl-1-(2-propyloxiran-2-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(2-propyloxiran-2-yl)methanimine?
The canonical SMILES for N-benzyl-1-(2-propyloxiran-2-yl)methanimine is CCCC1(/C=N/Cc2ccccc2)CO1.
What is the InChIKey of N-benzyl-1-(2-propyloxiran-2-yl)methanimine?
The InChIKey is JZWOZIYHARGJCR-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-8-13(11-15-13)10-14-9-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3/b14-10+.
What are the key properties of N-benzyl-1-(2-propyloxiran-2-yl)methanimine?
N-benzyl-1-(2-propyloxiran-2-yl)methanimine has a molecular weight of 203.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-propyloxiran-2-yl)methanimine is sourced from PubChem (CID 12780566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).