3-cyclohexylazetidine;hydrochloride

C9H18ClN — CID 119056954

IUPAC3-cyclohexylazetidine;hydrochloride
SMILESC1CCC(C2CNC2)CC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-4-8(5-3-1)9-6-10-7-9;/h8-10H,1-7H2;1H
InChIKeyVBMNTOIZZFUXNZ-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.21
Rot. Bonds1

About 3-cyclohexylazetidine;hydrochloride

3-cyclohexylazetidine;hydrochloride (PubChem CID 119056954) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 3-cyclohexylazetidine;hydrochloride.

Molecular Properties

Compound Name3-cyclohexylazetidine;hydrochloride
PubChem CID119056954
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name3-cyclohexylazetidine;hydrochloride
SMILESC1CCC(C2CNC2)CC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-4-8(5-3-1)9-6-10-7-9;/h8-10H,1-7H2;1H
InChIKeyVBMNTOIZZFUXNZ-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylazetidine;hydrochloride?
The IUPAC name of 3-cyclohexylazetidine;hydrochloride (CID 119056954) is 3-cyclohexylazetidine;hydrochloride.
What is the SMILES notation for 3-cyclohexylazetidine;hydrochloride?
The canonical SMILES for 3-cyclohexylazetidine;hydrochloride is C1CCC(C2CNC2)CC1.Cl.
What is the InChIKey of 3-cyclohexylazetidine;hydrochloride?
The InChIKey is VBMNTOIZZFUXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-2-4-8(5-3-1)9-6-10-7-9;/h8-10H,1-7H2;1H.
What are the key properties of 3-cyclohexylazetidine;hydrochloride?
3-cyclohexylazetidine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylazetidine;hydrochloride is sourced from PubChem (CID 119056954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).