N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine

C12H24N2O — CID 102656729

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine
SMILESCCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C12H24N2O/c1-3-6-14(11-4-5-11)7-8-15-12(2)9-13-10-12/h11,13H,3-10H2,1-2H3
InChIKeyXQJGCERGHUIRTC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds7

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

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine (PubChem CID 102656729) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine
PubChem CID102656729
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine
SMILESCCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C12H24N2O/c1-3-6-14(11-4-5-11)7-8-15-12(2)9-13-10-12/h11,13H,3-10H2,1-2H3
InChIKeyXQJGCERGHUIRTC-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine (CID 102656729) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine is CCCN(CCOC1(C)CNC1)C1CC1.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine?
The InChIKey is XQJGCERGHUIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-6-14(11-4-5-11)7-8-15-12(2)9-13-10-12/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine is sourced from PubChem (CID 102656729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).