N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine

C14H23N — CID 115690131

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine
SMILESC1=CC2CC1CC2CNCCC1CCC1
InChIInChI=1S/C14H23N/c1-2-11(3-1)6-7-15-10-14-9-12-4-5-13(14)8-12/h4-5,11-15H,1-3,6-10H2
InChIKeyQBZPSWVYQNDWKN-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.98
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine (PubChem CID 115690131) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine
PubChem CID115690131
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine
SMILESC1=CC2CC1CC2CNCCC1CCC1
InChIInChI=1S/C14H23N/c1-2-11(3-1)6-7-15-10-14-9-12-4-5-13(14)8-12/h4-5,11-15H,1-3,6-10H2
InChIKeyQBZPSWVYQNDWKN-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine (CID 115690131) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine is C1=CC2CC1CC2CNCCC1CCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine?
The InChIKey is QBZPSWVYQNDWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-11(3-1)6-7-15-10-14-9-12-4-5-13(14)8-12/h4-5,11-15H,1-3,6-10H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine has a molecular weight of 205.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-cyclobutylethanamine is sourced from PubChem (CID 115690131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).