2,5-dimethylspiro[2.2]pentan-2-amine

C7H13N — CID 70451349

IUPAC2,5-dimethylspiro[2.2]pentan-2-amine
SMILESCC1CC12CC2(C)N
InChIInChI=1S/C7H13N/c1-5-3-7(5)4-6(7,2)8/h5H,3-4,8H2,1-2H3
InChIKeyCMJMVVWWBCRNAS-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.13
Rot. Bonds

About 2,5-dimethylspiro[2.2]pentan-2-amine

2,5-dimethylspiro[2.2]pentan-2-amine (PubChem CID 70451349) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,5-dimethylspiro[2.2]pentan-2-amine.

Molecular Properties

Compound Name2,5-dimethylspiro[2.2]pentan-2-amine
PubChem CID70451349
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,5-dimethylspiro[2.2]pentan-2-amine
SMILESCC1CC12CC2(C)N
InChIInChI=1S/C7H13N/c1-5-3-7(5)4-6(7,2)8/h5H,3-4,8H2,1-2H3
InChIKeyCMJMVVWWBCRNAS-UHFFFAOYSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethylspiro[2.2]pentan-2-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 2,5-dimethylspiro[2.2]pentan-2-amine?
The IUPAC name of 2,5-dimethylspiro[2.2]pentan-2-amine (CID 70451349) is 2,5-dimethylspiro[2.2]pentan-2-amine.
What is the SMILES notation for 2,5-dimethylspiro[2.2]pentan-2-amine?
The canonical SMILES for 2,5-dimethylspiro[2.2]pentan-2-amine is CC1CC12CC2(C)N.
What is the InChIKey of 2,5-dimethylspiro[2.2]pentan-2-amine?
The InChIKey is CMJMVVWWBCRNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-3-7(5)4-6(7,2)8/h5H,3-4,8H2,1-2H3.
What are the key properties of 2,5-dimethylspiro[2.2]pentan-2-amine?
2,5-dimethylspiro[2.2]pentan-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylspiro[2.2]pentan-2-amine is sourced from PubChem (CID 70451349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).