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

C12H19N — CID 62414351

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine
SMILESC1=CC2CC1CC2CNC1CCC1
InChIInChI=1S/C12H19N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-13H,1-3,6-8H2
InChIKeySNYKHIHBPSNIEH-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.34
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine (PubChem CID 62414351) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine
PubChem CID62414351
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine
SMILESC1=CC2CC1CC2CNC1CCC1
InChIInChI=1S/C12H19N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-13H,1-3,6-8H2
InChIKeySNYKHIHBPSNIEH-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine (CID 62414351) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine is C1=CC2CC1CC2CNC1CCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine?
The InChIKey is SNYKHIHBPSNIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-13H,1-3,6-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)cyclobutanamine has a molecular weight of 177.29 g/mol, XLogP of 2.34, 3 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)cyclobutanamine is sourced from PubChem (CID 62414351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).