3-(cyclohexylmethyl)azetidine;hydrochloride

C10H20ClN — CID 170913579

IUPAC3-(cyclohexylmethyl)azetidine;hydrochloride
SMILESC1CCC(CC2CNC2)CC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-2-4-9(5-3-1)6-10-7-11-8-10;/h9-11H,1-8H2;1H
InChIKeyUPXYJWGZHBJLTK-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.60
Rot. Bonds2

About 3-(cyclohexylmethyl)azetidine;hydrochloride

3-(cyclohexylmethyl)azetidine;hydrochloride (PubChem CID 170913579) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(cyclohexylmethyl)azetidine;hydrochloride
PubChem CID170913579
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name3-(cyclohexylmethyl)azetidine;hydrochloride
SMILESC1CCC(CC2CNC2)CC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-2-4-9(5-3-1)6-10-7-11-8-10;/h9-11H,1-8H2;1H
InChIKeyUPXYJWGZHBJLTK-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)azetidine;hydrochloride?
The IUPAC name of 3-(cyclohexylmethyl)azetidine;hydrochloride (CID 170913579) is 3-(cyclohexylmethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(cyclohexylmethyl)azetidine;hydrochloride?
The canonical SMILES for 3-(cyclohexylmethyl)azetidine;hydrochloride is C1CCC(CC2CNC2)CC1.Cl.
What is the InChIKey of 3-(cyclohexylmethyl)azetidine;hydrochloride?
The InChIKey is UPXYJWGZHBJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-2-4-9(5-3-1)6-10-7-11-8-10;/h9-11H,1-8H2;1H.
What are the key properties of 3-(cyclohexylmethyl)azetidine;hydrochloride?
3-(cyclohexylmethyl)azetidine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)azetidine;hydrochloride is sourced from PubChem (CID 170913579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).