2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine

C11H22N2O2 — CID 79677281

IUPAC2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine
SMILESCOC1(OC)CN(C2CCCCC2N)C1
InChIInChI=1S/C11H22N2O2/c1-14-11(15-2)7-13(8-11)10-6-4-3-5-9(10)12/h9-10H,3-8,12H2,1-2H3
InChIKeyFHTFBRWXAQFYAK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.56
Rot. Bonds3

About 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine

2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine (PubChem CID 79677281) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine
PubChem CID79677281
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine
SMILESCOC1(OC)CN(C2CCCCC2N)C1
InChIInChI=1S/C11H22N2O2/c1-14-11(15-2)7-13(8-11)10-6-4-3-5-9(10)12/h9-10H,3-8,12H2,1-2H3
InChIKeyFHTFBRWXAQFYAK-UHFFFAOYSA-N
XLogP0.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine?
The IUPAC name of 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine (CID 79677281) is 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine is COC1(OC)CN(C2CCCCC2N)C1.
What is the InChIKey of 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine?
The InChIKey is FHTFBRWXAQFYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-14-11(15-2)7-13(8-11)10-6-4-3-5-9(10)12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine?
2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethoxyazetidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79677281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).