4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine

C10H20N2O — CID 130547186

IUPAC4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine
SMILESCOC1CN(C2CCC(N)CC2)C1
InChIInChI=1S/C10H20N2O/c1-13-10-6-12(7-10)9-4-2-8(11)3-5-9/h8-10H,2-7,11H2,1H3
InChIKeyQAVKZDNKNYAGKN-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds2

About 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine

4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine (PubChem CID 130547186) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine
PubChem CID130547186
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine
SMILESCOC1CN(C2CCC(N)CC2)C1
InChIInChI=1S/C10H20N2O/c1-13-10-6-12(7-10)9-4-2-8(11)3-5-9/h8-10H,2-7,11H2,1H3
InChIKeyQAVKZDNKNYAGKN-UHFFFAOYSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine (CID 130547186) is 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine is COC1CN(C2CCC(N)CC2)C1.
What is the InChIKey of 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine?
The InChIKey is QAVKZDNKNYAGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-10-6-12(7-10)9-4-2-8(11)3-5-9/h8-10H,2-7,11H2,1H3.
What are the key properties of 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine?
4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyazetidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 130547186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).