3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine

C13H25N3 — CID 177005909

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine
SMILESCC1(C)CCCN1C1CCC12CCN(N)C2
InChIInChI=1S/C13H25N3/c1-12(2)5-3-8-16(12)11-4-6-13(11)7-9-15(14)10-13/h11H,3-10,14H2,1-2H3
InChIKeyJWIPRXNOPRXFOQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.59
Rot. Bonds1

About 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine

3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine (PubChem CID 177005909) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine
PubChem CID177005909
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine
SMILESCC1(C)CCCN1C1CCC12CCN(N)C2
InChIInChI=1S/C13H25N3/c1-12(2)5-3-8-16(12)11-4-6-13(11)7-9-15(14)10-13/h11H,3-10,14H2,1-2H3
InChIKeyJWIPRXNOPRXFOQ-UHFFFAOYSA-N
XLogP1.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine (CID 177005909) is 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine is CC1(C)CCCN1C1CCC12CCN(N)C2.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine?
The InChIKey is JWIPRXNOPRXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-12(2)5-3-8-16(12)11-4-6-13(11)7-9-15(14)10-13/h11H,3-10,14H2,1-2H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine?
3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine has a molecular weight of 223.36 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-6-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 177005909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).