3-(3-methoxyazetidin-1-yl)propan-1-amine

C7H16N2O — CID 55285919

IUPAC3-(3-methoxyazetidin-1-yl)propan-1-amine
SMILESCOC1CN(CCCN)C1
InChIInChI=1S/C7H16N2O/c1-10-7-5-9(6-7)4-2-3-8/h7H,2-6,8H2,1H3
InChIKeyGMMSRLQVZWKJFR-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.33
Rot. Bonds4

About 3-(3-methoxyazetidin-1-yl)propan-1-amine

3-(3-methoxyazetidin-1-yl)propan-1-amine (PubChem CID 55285919) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-(3-methoxyazetidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyazetidin-1-yl)propan-1-amine
PubChem CID55285919
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-(3-methoxyazetidin-1-yl)propan-1-amine
SMILESCOC1CN(CCCN)C1
InChIInChI=1S/C7H16N2O/c1-10-7-5-9(6-7)4-2-3-8/h7H,2-6,8H2,1H3
InChIKeyGMMSRLQVZWKJFR-UHFFFAOYSA-N
XLogP-0.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyazetidin-1-yl)propan-1-amine?
The IUPAC name of 3-(3-methoxyazetidin-1-yl)propan-1-amine (CID 55285919) is 3-(3-methoxyazetidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methoxyazetidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-methoxyazetidin-1-yl)propan-1-amine is COC1CN(CCCN)C1.
What is the InChIKey of 3-(3-methoxyazetidin-1-yl)propan-1-amine?
The InChIKey is GMMSRLQVZWKJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-10-7-5-9(6-7)4-2-3-8/h7H,2-6,8H2,1H3.
What are the key properties of 3-(3-methoxyazetidin-1-yl)propan-1-amine?
3-(3-methoxyazetidin-1-yl)propan-1-amine has a molecular weight of 144.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyazetidin-1-yl)propan-1-amine is sourced from PubChem (CID 55285919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).