N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine

C11H22N2O — CID 102656722

IUPACN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
SMILESCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-13(10-4-5-10)6-7-14-11(2)8-12-9-11/h10,12H,3-9H2,1-2H3
InChIKeyKGGCZVCMFZHTIM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds6

About N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine

N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine (PubChem CID 102656722) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
PubChem CID102656722
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
SMILESCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-13(10-4-5-10)6-7-14-11(2)8-12-9-11/h10,12H,3-9H2,1-2H3
InChIKeyKGGCZVCMFZHTIM-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine (CID 102656722) is N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine is CCN(CCOC1(C)CNC1)C1CC1.
What is the InChIKey of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The InChIKey is KGGCZVCMFZHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-13(10-4-5-10)6-7-14-11(2)8-12-9-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine is sourced from PubChem (CID 102656722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).