4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine

C13H19N — CID 150477071

IUPAC4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
SMILES[H]/N=C1/CC2(C3CCCCC3)C=CC1C2
InChIInChI=1S/C13H19N/c14-12-9-13(7-6-10(12)8-13)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2/b14-12-
InChIKeyHTAFPGAHZYVHDC-OWBHPGMISA-N
MW189.30 g/mol
LogP3.55
Rot. Bonds1

About 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine

4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine (PubChem CID 150477071) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine.

Molecular Properties

Compound Name4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
PubChem CID150477071
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
SMILES[H]/N=C1/CC2(C3CCCCC3)C=CC1C2
InChIInChI=1S/C13H19N/c14-12-9-13(7-6-10(12)8-13)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2/b14-12-
InChIKeyHTAFPGAHZYVHDC-OWBHPGMISA-N
XLogP3.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
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 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
The IUPAC name of 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine (CID 150477071) is 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine.
What is the SMILES notation for 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
The canonical SMILES for 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine is [H]/N=C1/CC2(C3CCCCC3)C=CC1C2.
What is the InChIKey of 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
The InChIKey is HTAFPGAHZYVHDC-OWBHPGMISA-N. The full InChI is InChI=1S/C13H19N/c14-12-9-13(7-6-10(12)8-13)11-4-2-1-3-5-11/h6-7,10-11,14H,1-5,8-9H2/b14-12-.
What are the key properties of 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine is sourced from PubChem (CID 150477071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).