1-propylpyrrolidine;hydrobromide

C7H16BrN — CID 173024709

IUPAC1-propylpyrrolidine;hydrobromide
SMILESBr.CCCN1CCCC1
InChIInChI=1S/C7H15N.BrH/c1-2-5-8-6-3-4-7-8;/h2-7H2,1H3;1H
InChIKeyPTHOLOBAVNTPKH-UHFFFAOYSA-N
MW194.12 g/mol
LogP2.07
Rot. Bonds2

About 1-propylpyrrolidine;hydrobromide

1-propylpyrrolidine;hydrobromide (PubChem CID 173024709) has the molecular formula C7H16BrN and a molecular weight of 194.12 g/mol. Its IUPAC name is 1-propylpyrrolidine;hydrobromide.

Molecular Properties

Compound Name1-propylpyrrolidine;hydrobromide
PubChem CID173024709
Molecular FormulaC7H16BrN
Molecular Weight194.12 g/mol
Exact Mass193.05
IUPAC Name1-propylpyrrolidine;hydrobromide
SMILESBr.CCCN1CCCC1
InChIInChI=1S/C7H15N.BrH/c1-2-5-8-6-3-4-7-8;/h2-7H2,1H3;1H
InChIKeyPTHOLOBAVNTPKH-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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butane;2-methylbutane;1-propylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-propylpyrrolidine;hydrobromide?
The IUPAC name of 1-propylpyrrolidine;hydrobromide (CID 173024709) is 1-propylpyrrolidine;hydrobromide.
What is the SMILES notation for 1-propylpyrrolidine;hydrobromide?
The canonical SMILES for 1-propylpyrrolidine;hydrobromide is Br.CCCN1CCCC1.
What is the InChIKey of 1-propylpyrrolidine;hydrobromide?
The InChIKey is PTHOLOBAVNTPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.BrH/c1-2-5-8-6-3-4-7-8;/h2-7H2,1H3;1H.
What are the key properties of 1-propylpyrrolidine;hydrobromide?
1-propylpyrrolidine;hydrobromide has a molecular weight of 194.12 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrrolidine;hydrobromide is sourced from PubChem (CID 173024709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).