N-phenylhex-5-en-2-imine

C12H15N — CID 154709145

IUPACN-phenylhex-5-en-2-imine
SMILESC=CCC/C(C)=N/c1ccccc1
InChIInChI=1S/C12H15N/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,5-7,9-10H,1,4,8H2,2H3/b13-11+
InChIKeyZJNQPWLMCPLZTD-ACCUITESSA-N
MW173.26 g/mol
LogP3.75
Rot. Bonds4

About N-phenylhex-5-en-2-imine

N-phenylhex-5-en-2-imine (PubChem CID 154709145) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-phenylhex-5-en-2-imine.

Molecular Properties

Compound NameN-phenylhex-5-en-2-imine
PubChem CID154709145
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-phenylhex-5-en-2-imine
SMILESC=CCC/C(C)=N/c1ccccc1
InChIInChI=1S/C12H15N/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,5-7,9-10H,1,4,8H2,2H3/b13-11+
InChIKeyZJNQPWLMCPLZTD-ACCUITESSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenylhex-5-en-2-imine?
The IUPAC name of N-phenylhex-5-en-2-imine (CID 154709145) is N-phenylhex-5-en-2-imine.
What is the SMILES notation for N-phenylhex-5-en-2-imine?
The canonical SMILES for N-phenylhex-5-en-2-imine is C=CCC/C(C)=N/c1ccccc1.
What is the InChIKey of N-phenylhex-5-en-2-imine?
The InChIKey is ZJNQPWLMCPLZTD-ACCUITESSA-N. The full InChI is InChI=1S/C12H15N/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,5-7,9-10H,1,4,8H2,2H3/b13-11+.
What are the key properties of N-phenylhex-5-en-2-imine?
N-phenylhex-5-en-2-imine has a molecular weight of 173.26 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylhex-5-en-2-imine is sourced from PubChem (CID 154709145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).