2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine

C9H20N2O — CID 115014061

IUPAC2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine
SMILESCC(C)OC1(CCN)CN(C)C1
InChIInChI=1S/C9H20N2O/c1-8(2)12-9(4-5-10)6-11(3)7-9/h8H,4-7,10H2,1-3H3
InChIKeyRQGQMQVUWUUFIX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds4

About 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine

2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine (PubChem CID 115014061) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine
PubChem CID115014061
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine
SMILESCC(C)OC1(CCN)CN(C)C1
InChIInChI=1S/C9H20N2O/c1-8(2)12-9(4-5-10)6-11(3)7-9/h8H,4-7,10H2,1-3H3
InChIKeyRQGQMQVUWUUFIX-UHFFFAOYSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine?
The IUPAC name of 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine (CID 115014061) is 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine is CC(C)OC1(CCN)CN(C)C1.
What is the InChIKey of 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine?
The InChIKey is RQGQMQVUWUUFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)12-9(4-5-10)6-11(3)7-9/h8H,4-7,10H2,1-3H3.
What are the key properties of 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine?
2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine is sourced from PubChem (CID 115014061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).