[3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine

C15H25N — CID 129304433

IUPAC[3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine
SMILESNCC1CC2CC(CC3CCCCC3)=CC12
InChIInChI=1S/C15H25N/c16-10-14-9-13-7-12(8-15(13)14)6-11-4-2-1-3-5-11/h8,11,13-15H,1-7,9-10,16H2
InChIKeyDHLDHSWPVNZFIJ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.50
Rot. Bonds3

About [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine

[3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine (PubChem CID 129304433) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine
PubChem CID129304433
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name[3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine
SMILESNCC1CC2CC(CC3CCCCC3)=CC12
InChIInChI=1S/C15H25N/c16-10-14-9-13-7-12(8-15(13)14)6-11-4-2-1-3-5-11/h8,11,13-15H,1-7,9-10,16H2
InChIKeyDHLDHSWPVNZFIJ-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
The IUPAC name of [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine (CID 129304433) is [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine.
What is the SMILES notation for [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
The canonical SMILES for [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine is NCC1CC2CC(CC3CCCCC3)=CC12.
What is the InChIKey of [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
The InChIKey is DHLDHSWPVNZFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c16-10-14-9-13-7-12(8-15(13)14)6-11-4-2-1-3-5-11/h8,11,13-15H,1-7,9-10,16H2.
What are the key properties of [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine?
[3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine has a molecular weight of 219.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine is sourced from PubChem (CID 129304433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).