3,3-dimethylpyrrolidine

C6H13N — CID 14949211

IUPAC3,3-dimethylpyrrolidine
SMILESCC1(C)CCNC1
InChIInChI=1S/C6H13N/c1-6(2)3-4-7-5-6/h7H,3-5H2,1-2H3
InChIKeyXBQNZPDIRJPFAI-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.01
Rot. Bonds

About 3,3-dimethylpyrrolidine

3,3-dimethylpyrrolidine (PubChem CID 14949211) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name3,3-dimethylpyrrolidine
PubChem CID14949211
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name3,3-dimethylpyrrolidine
SMILESCC1(C)CCNC1
InChIInChI=1S/C6H13N/c1-6(2)3-4-7-5-6/h7H,3-5H2,1-2H3
InChIKeyXBQNZPDIRJPFAI-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpyrrolidine?
The IUPAC name of 3,3-dimethylpyrrolidine (CID 14949211) is 3,3-dimethylpyrrolidine.
What is the SMILES notation for 3,3-dimethylpyrrolidine?
The canonical SMILES for 3,3-dimethylpyrrolidine is CC1(C)CCNC1.
What is the InChIKey of 3,3-dimethylpyrrolidine?
The InChIKey is XBQNZPDIRJPFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)3-4-7-5-6/h7H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethylpyrrolidine?
3,3-dimethylpyrrolidine has a molecular weight of 99.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyrrolidine is sourced from PubChem (CID 14949211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).