N-benzylpent-2-en-1-imine

C12H15N — CID 71349655

IUPACN-benzylpent-2-en-1-imine
SMILESCCC=C/C=N/Cc1ccccc1
InChIInChI=1S/C12H15N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h3-10H,2,11H2,1H3/b7-3?,13-10+
InChIKeyUWNQYLKXOPZDPV-LKIHKZPUSA-N
MW173.26 g/mol
LogP3.22
Rot. Bonds4

About N-benzylpent-2-en-1-imine

N-benzylpent-2-en-1-imine (PubChem CID 71349655) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-benzylpent-2-en-1-imine.

Molecular Properties

Compound NameN-benzylpent-2-en-1-imine
PubChem CID71349655
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-benzylpent-2-en-1-imine
SMILESCCC=C/C=N/Cc1ccccc1
InChIInChI=1S/C12H15N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h3-10H,2,11H2,1H3/b7-3?,13-10+
InChIKeyUWNQYLKXOPZDPV-LKIHKZPUSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzylbut-2-en-1-imine
CID 141334721
N-benzyldecan-1-imine
CID 11276634
(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine
CID 10661739
(2S)-N-benzyl-2-chloropropan-1-imine
CID 131243971
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine
CID 71409068
N-benzyl-3-methylbutan-1-imine
CID 11457986
benzyliminotungsten
CID 21354480
(E)-N-benzyl-4-phenylbut-3-en-1-imine
CID 101087207
2-benzyliminoacetonitrile
CID 10975606
(4E,6Z)-N-benzyl-2-bromo-4-methylnona-4,6-dien-3-imine;ethane;methanimine
CID 145377488

Frequently Asked Questions

What is the IUPAC name of N-benzylpent-2-en-1-imine?
The IUPAC name of N-benzylpent-2-en-1-imine (CID 71349655) is N-benzylpent-2-en-1-imine.
What is the SMILES notation for N-benzylpent-2-en-1-imine?
The canonical SMILES for N-benzylpent-2-en-1-imine is CCC=C/C=N/Cc1ccccc1.
What is the InChIKey of N-benzylpent-2-en-1-imine?
The InChIKey is UWNQYLKXOPZDPV-LKIHKZPUSA-N. The full InChI is InChI=1S/C12H15N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h3-10H,2,11H2,1H3/b7-3?,13-10+.
What are the key properties of N-benzylpent-2-en-1-imine?
N-benzylpent-2-en-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpent-2-en-1-imine is sourced from PubChem (CID 71349655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).