N-[2-(cyclohexen-1-yl)phenyl]methanimine

C13H15N — CID 146628867

IUPACN-[2-(cyclohexen-1-yl)phenyl]methanimine
SMILESC=Nc1ccccc1C1=CCCCC1
InChIInChI=1S/C13H15N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h5-7,9-10H,1-4,8H2
InChIKeyGUSGVZDNKCIPPE-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.98
Rot. Bonds2

About N-[2-(cyclohexen-1-yl)phenyl]methanimine

N-[2-(cyclohexen-1-yl)phenyl]methanimine (PubChem CID 146628867) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)phenyl]methanimine
PubChem CID146628867
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-[2-(cyclohexen-1-yl)phenyl]methanimine
SMILESC=Nc1ccccc1C1=CCCCC1
InChIInChI=1S/C13H15N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h5-7,9-10H,1-4,8H2
InChIKeyGUSGVZDNKCIPPE-UHFFFAOYSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.98
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-[2-(cyclohexen-1-yl)phenyl]methanimine?
The IUPAC name of N-[2-(cyclohexen-1-yl)phenyl]methanimine (CID 146628867) is N-[2-(cyclohexen-1-yl)phenyl]methanimine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)phenyl]methanimine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)phenyl]methanimine is C=Nc1ccccc1C1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)phenyl]methanimine?
The InChIKey is GUSGVZDNKCIPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h5-7,9-10H,1-4,8H2.
What are the key properties of N-[2-(cyclohexen-1-yl)phenyl]methanimine?
N-[2-(cyclohexen-1-yl)phenyl]methanimine has a molecular weight of 185.27 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)phenyl]methanimine is sourced from PubChem (CID 146628867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).