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

C13H26N2O — CID 102656818

IUPACN-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
SMILESCCCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-3-4-7-15(12-5-6-12)8-9-16-13(2)10-14-11-13/h12,14H,3-11H2,1-2H3
InChIKeyDUNAVMQUJNZJHU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds8

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

N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine (PubChem CID 102656818) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
PubChem CID102656818
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
SMILESCCCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-3-4-7-15(12-5-6-12)8-9-16-13(2)10-14-11-13/h12,14H,3-11H2,1-2H3
InChIKeyDUNAVMQUJNZJHU-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine (CID 102656818) is N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine is CCCCN(CCOC1(C)CNC1)C1CC1.
What is the InChIKey of N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The InChIKey is DUNAVMQUJNZJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-7-15(12-5-6-12)8-9-16-13(2)10-14-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine is sourced from PubChem (CID 102656818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).