3-propan-2-ylpyrrolidine;hydrochloride

C7H16ClN — CID 71755758

IUPAC3-propan-2-ylpyrrolidine;hydrochloride
SMILESCC(C)C1CCNC1.Cl
InChIInChI=1S/C7H15N.ClH/c1-6(2)7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyHMXLFEQWPFPEEX-UHFFFAOYSA-N
MW149.66 g/mol
LogP1.67
Rot. Bonds1

About 3-propan-2-ylpyrrolidine;hydrochloride

3-propan-2-ylpyrrolidine;hydrochloride (PubChem CID 71755758) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is 3-propan-2-ylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-propan-2-ylpyrrolidine;hydrochloride
PubChem CID71755758
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name3-propan-2-ylpyrrolidine;hydrochloride
SMILESCC(C)C1CCNC1.Cl
InChIInChI=1S/C7H15N.ClH/c1-6(2)7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyHMXLFEQWPFPEEX-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyrrolidine;hydrochloride?
The IUPAC name of 3-propan-2-ylpyrrolidine;hydrochloride (CID 71755758) is 3-propan-2-ylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-propan-2-ylpyrrolidine;hydrochloride?
The canonical SMILES for 3-propan-2-ylpyrrolidine;hydrochloride is CC(C)C1CCNC1.Cl.
What is the InChIKey of 3-propan-2-ylpyrrolidine;hydrochloride?
The InChIKey is HMXLFEQWPFPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-6(2)7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 3-propan-2-ylpyrrolidine;hydrochloride?
3-propan-2-ylpyrrolidine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrrolidine;hydrochloride is sourced from PubChem (CID 71755758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).