2-methylbicyclo[1.1.1]pentan-1-amine

C6H11N — CID 123370149

IUPAC2-methylbicyclo[1.1.1]pentan-1-amine
SMILESCC1C2CC1(N)C2
InChIInChI=1S/C6H11N/c1-4-5-2-6(4,7)3-5/h4-5H,2-3,7H2,1H3
InChIKeyHWRCQHZBMUDPJS-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.74
Rot. Bonds

About 2-methylbicyclo[1.1.1]pentan-1-amine

2-methylbicyclo[1.1.1]pentan-1-amine (PubChem CID 123370149) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2-methylbicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name2-methylbicyclo[1.1.1]pentan-1-amine
PubChem CID123370149
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2-methylbicyclo[1.1.1]pentan-1-amine
SMILESCC1C2CC1(N)C2
InChIInChI=1S/C6H11N/c1-4-5-2-6(4,7)3-5/h4-5H,2-3,7H2,1H3
InChIKeyHWRCQHZBMUDPJS-UHFFFAOYSA-N
XLogP0.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methylbicyclo[1.1.1]pentan-1-amine 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 2-methylbicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 2-methylbicyclo[1.1.1]pentan-1-amine (CID 123370149) is 2-methylbicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 2-methylbicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 2-methylbicyclo[1.1.1]pentan-1-amine is CC1C2CC1(N)C2.
What is the InChIKey of 2-methylbicyclo[1.1.1]pentan-1-amine?
The InChIKey is HWRCQHZBMUDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5-2-6(4,7)3-5/h4-5H,2-3,7H2,1H3.
What are the key properties of 2-methylbicyclo[1.1.1]pentan-1-amine?
2-methylbicyclo[1.1.1]pentan-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 123370149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).