N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C13H23NO — CID 169221439

IUPACN-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-13(2,3)8-14-12(15)11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyLKOPQMXFPXVPJO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.58
Rot. Bonds2

About N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 169221439) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID169221439
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-13(2,3)8-14-12(15)11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyLKOPQMXFPXVPJO-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide 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-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 169221439) is N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(C)CNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LKOPQMXFPXVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)8-14-12(15)11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 169221439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).