3,3-dimethylpyrrolidine;hydrochloride

C6H14ClN — CID 46736057

IUPAC3,3-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)CCNC1.Cl
InChIInChI=1S/C6H13N.ClH/c1-6(2)3-4-7-5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyPVDSQZKZYULVPR-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.43
Rot. Bonds

About 3,3-dimethylpyrrolidine;hydrochloride

3,3-dimethylpyrrolidine;hydrochloride (PubChem CID 46736057) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 3,3-dimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylpyrrolidine;hydrochloride
PubChem CID46736057
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name3,3-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)CCNC1.Cl
InChIInChI=1S/C6H13N.ClH/c1-6(2)3-4-7-5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyPVDSQZKZYULVPR-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpyrrolidine;hydrochloride?
The IUPAC name of 3,3-dimethylpyrrolidine;hydrochloride (CID 46736057) is 3,3-dimethylpyrrolidine;hydrochloride.
What is the SMILES notation for 3,3-dimethylpyrrolidine;hydrochloride?
The canonical SMILES for 3,3-dimethylpyrrolidine;hydrochloride is CC1(C)CCNC1.Cl.
What is the InChIKey of 3,3-dimethylpyrrolidine;hydrochloride?
The InChIKey is PVDSQZKZYULVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-6(2)3-4-7-5-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3,3-dimethylpyrrolidine;hydrochloride?
3,3-dimethylpyrrolidine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 46736057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).