N-cyclohexylethenimine

C8H13N — CID 22149410

IUPACN-cyclohexylethenimine
SMILESC=C=NC1CCCCC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h8H,1,3-7H2
InChIKeyCRXQMOSZURXIEC-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.17
Rot. Bonds1

About N-cyclohexylethenimine

N-cyclohexylethenimine (PubChem CID 22149410) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-cyclohexylethenimine.

Molecular Properties

Compound NameN-cyclohexylethenimine
PubChem CID22149410
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-cyclohexylethenimine
SMILESC=C=NC1CCCCC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h8H,1,3-7H2
InChIKeyCRXQMOSZURXIEC-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.17
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-cyclohexylethenimine?
The IUPAC name of N-cyclohexylethenimine (CID 22149410) is N-cyclohexylethenimine.
What is the SMILES notation for N-cyclohexylethenimine?
The canonical SMILES for N-cyclohexylethenimine is C=C=NC1CCCCC1.
What is the InChIKey of N-cyclohexylethenimine?
The InChIKey is CRXQMOSZURXIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h8H,1,3-7H2.
What are the key properties of N-cyclohexylethenimine?
N-cyclohexylethenimine has a molecular weight of 123.20 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylethenimine is sourced from PubChem (CID 22149410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).