N-(1-phenylethyl)cyclohexanimine

C14H19N — CID 12723295

IUPACN-(1-phenylethyl)cyclohexanimine
SMILESCC(N=C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyGPHCGSUNNLMMEQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.15
Rot. Bonds2

About N-(1-phenylethyl)cyclohexanimine

N-(1-phenylethyl)cyclohexanimine (PubChem CID 12723295) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(1-phenylethyl)cyclohexanimine.

Molecular Properties

Compound NameN-(1-phenylethyl)cyclohexanimine
PubChem CID12723295
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-(1-phenylethyl)cyclohexanimine
SMILESCC(N=C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyGPHCGSUNNLMMEQ-UHFFFAOYSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.15
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-(1-phenylethyl)cyclohexanimine?
The IUPAC name of N-(1-phenylethyl)cyclohexanimine (CID 12723295) is N-(1-phenylethyl)cyclohexanimine.
What is the SMILES notation for N-(1-phenylethyl)cyclohexanimine?
The canonical SMILES for N-(1-phenylethyl)cyclohexanimine is CC(N=C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)cyclohexanimine?
The InChIKey is GPHCGSUNNLMMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3.
What are the key properties of N-(1-phenylethyl)cyclohexanimine?
N-(1-phenylethyl)cyclohexanimine has a molecular weight of 201.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)cyclohexanimine is sourced from PubChem (CID 12723295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).