3-butylpyrrolidine;hydrochloride

C8H18ClN — CID 126845701

IUPAC3-butylpyrrolidine;hydrochloride
SMILESCCCCC1CCNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-2-3-4-8-5-6-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKeyYLPDOWKRVHCOEK-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.21
Rot. Bonds3

About 3-butylpyrrolidine;hydrochloride

3-butylpyrrolidine;hydrochloride (PubChem CID 126845701) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 3-butylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-butylpyrrolidine;hydrochloride
PubChem CID126845701
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name3-butylpyrrolidine;hydrochloride
SMILESCCCCC1CCNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-2-3-4-8-5-6-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKeyYLPDOWKRVHCOEK-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butylpyrrolidine;hydrochloride?
The IUPAC name of 3-butylpyrrolidine;hydrochloride (CID 126845701) is 3-butylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-butylpyrrolidine;hydrochloride?
The canonical SMILES for 3-butylpyrrolidine;hydrochloride is CCCCC1CCNC1.Cl.
What is the InChIKey of 3-butylpyrrolidine;hydrochloride?
The InChIKey is YLPDOWKRVHCOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-2-3-4-8-5-6-9-7-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 3-butylpyrrolidine;hydrochloride?
3-butylpyrrolidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpyrrolidine;hydrochloride is sourced from PubChem (CID 126845701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).