N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine

C13H21N — CID 43775207

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine
SMILESC1=CC2CC1CC2CNCC1CCC1
InChIInChI=1S/C13H21N/c1-2-10(3-1)8-14-9-13-7-11-4-5-12(13)6-11/h4-5,10-14H,1-3,6-9H2
InChIKeyUVQRTPZGYZLBIW-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.59
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine (PubChem CID 43775207) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine
PubChem CID43775207
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine
SMILESC1=CC2CC1CC2CNCC1CCC1
InChIInChI=1S/C13H21N/c1-2-10(3-1)8-14-9-13-7-11-4-5-12(13)6-11/h4-5,10-14H,1-3,6-9H2
InChIKeyUVQRTPZGYZLBIW-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.59
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)-1-cyclobutylmethanamine 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)-1-cyclobutylmethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine (CID 43775207) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine is C1=CC2CC1CC2CNCC1CCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine?
The InChIKey is UVQRTPZGYZLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-10(3-1)8-14-9-13-7-11-4-5-12(13)6-11/h4-5,10-14H,1-3,6-9H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-cyclobutylmethanamine has a molecular weight of 191.32 g/mol, XLogP of 2.59, 4 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)-1-cyclobutylmethanamine is sourced from PubChem (CID 43775207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).