3-cyclohexylideneprop-2-en-1-imine

C9H13N — CID 20549622

IUPAC3-cyclohexylideneprop-2-en-1-imine
SMILES[H]/N=C/C=C=C1CCCCC1
InChIInChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h4,8,10H,1-3,5-6H2/b10-8+
InChIKeyJBVDYJQEYIVHMX-CSKARUKUSA-N
MW135.21 g/mol
LogP2.68
Rot. Bonds1

About 3-cyclohexylideneprop-2-en-1-imine

3-cyclohexylideneprop-2-en-1-imine (PubChem CID 20549622) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-cyclohexylideneprop-2-en-1-imine.

Molecular Properties

Compound Name3-cyclohexylideneprop-2-en-1-imine
PubChem CID20549622
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-cyclohexylideneprop-2-en-1-imine
SMILES[H]/N=C/C=C=C1CCCCC1
InChIInChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h4,8,10H,1-3,5-6H2/b10-8+
InChIKeyJBVDYJQEYIVHMX-CSKARUKUSA-N
XLogP2.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
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 3-cyclohexylideneprop-2-en-1-imine?
The IUPAC name of 3-cyclohexylideneprop-2-en-1-imine (CID 20549622) is 3-cyclohexylideneprop-2-en-1-imine.
What is the SMILES notation for 3-cyclohexylideneprop-2-en-1-imine?
The canonical SMILES for 3-cyclohexylideneprop-2-en-1-imine is [H]/N=C/C=C=C1CCCCC1.
What is the InChIKey of 3-cyclohexylideneprop-2-en-1-imine?
The InChIKey is JBVDYJQEYIVHMX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h4,8,10H,1-3,5-6H2/b10-8+.
What are the key properties of 3-cyclohexylideneprop-2-en-1-imine?
3-cyclohexylideneprop-2-en-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylideneprop-2-en-1-imine is sourced from PubChem (CID 20549622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).