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

C13H26N2O — CID 102656840

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-11(2)8-15(12-4-5-12)6-7-16-13(3)9-14-10-13/h11-12,14H,4-10H2,1-3H3
InChIKeyXCZSTEKGOJXHCY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds7

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

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine (PubChem CID 102656840) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine
PubChem CID102656840
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-11(2)8-15(12-4-5-12)6-7-16-13(3)9-14-10-13/h11-12,14H,4-10H2,1-3H3
InChIKeyXCZSTEKGOJXHCY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
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-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine (CID 102656840) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(CCOC1(C)CNC1)C1CC1.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is XCZSTEKGOJXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)8-15(12-4-5-12)6-7-16-13(3)9-14-10-13/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 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-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 102656840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).