3-pentylazetidine;hydrochloride

C8H18ClN — CID 86775430

IUPAC3-pentylazetidine;hydrochloride
SMILESCCCCCC1CNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-2-3-4-5-8-6-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKeyKYIWRJQGFYJTLT-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.21
Rot. Bonds4

About 3-pentylazetidine;hydrochloride

3-pentylazetidine;hydrochloride (PubChem CID 86775430) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 3-pentylazetidine;hydrochloride.

Molecular Properties

Compound Name3-pentylazetidine;hydrochloride
PubChem CID86775430
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name3-pentylazetidine;hydrochloride
SMILESCCCCCC1CNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-2-3-4-5-8-6-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKeyKYIWRJQGFYJTLT-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentylazetidine;hydrochloride?
The IUPAC name of 3-pentylazetidine;hydrochloride (CID 86775430) is 3-pentylazetidine;hydrochloride.
What is the SMILES notation for 3-pentylazetidine;hydrochloride?
The canonical SMILES for 3-pentylazetidine;hydrochloride is CCCCCC1CNC1.Cl.
What is the InChIKey of 3-pentylazetidine;hydrochloride?
The InChIKey is KYIWRJQGFYJTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-2-3-4-5-8-6-9-7-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 3-pentylazetidine;hydrochloride?
3-pentylazetidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylazetidine;hydrochloride is sourced from PubChem (CID 86775430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).