1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine

C7H16N2O — CID 137437565

IUPAC1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine
SMILESCOC1(CN(C)C)CNC1
InChIInChI=1S/C7H16N2O/c1-9(2)6-7(10-3)4-8-5-7/h8H,4-6H2,1-3H3
InChIKeyCBCVSCFHPGUFFT-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.46
Rot. Bonds3

About 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine

1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 137437565) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine
PubChem CID137437565
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine
SMILESCOC1(CN(C)C)CNC1
InChIInChI=1S/C7H16N2O/c1-9(2)6-7(10-3)4-8-5-7/h8H,4-6H2,1-3H3
InChIKeyCBCVSCFHPGUFFT-UHFFFAOYSA-N
XLogP-0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine (CID 137437565) is 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine is COC1(CN(C)C)CNC1.
What is the InChIKey of 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is CBCVSCFHPGUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9(2)6-7(10-3)4-8-5-7/h8H,4-6H2,1-3H3.
What are the key properties of 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine?
1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 144.22 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyazetidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 137437565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).