N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine

C12H27N3O — CID 102656938

IUPACN,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine
SMILESCN(C)CCCN(C)CCOC1(C)CNC1
InChIInChI=1S/C12H27N3O/c1-12(10-13-11-12)16-9-8-15(4)7-5-6-14(2)3/h13H,5-11H2,1-4H3
InChIKeyICLYQLZRMWAIQU-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds8

About N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine (PubChem CID 102656938) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine
PubChem CID102656938
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine
SMILESCN(C)CCCN(C)CCOC1(C)CNC1
InChIInChI=1S/C12H27N3O/c1-12(10-13-11-12)16-9-8-15(4)7-5-6-14(2)3/h13H,5-11H2,1-4H3
InChIKeyICLYQLZRMWAIQU-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]ethane-1,2-diamine
CID 102656937
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylsulfanylethyl)ethanamine
CID 102657036
N,N-dimethyl-1-[[methyl-[2-(3-methylazetidin-3-yl)oxyethyl]amino]methyl]cyclobutan-1-amine
CID 102657082
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclobutanamine
CID 102657060
N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656836
N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-2-amine
CID 102657031
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
3-methyl-3-octoxyazetidine
CID 83065433
3-methyl-3-pent-4-enoxyazetidine
CID 83067660
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657024
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
3-(2-butoxyethoxy)-3-methylazetidine
CID 83066237

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine (CID 102656938) is N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine is CN(C)CCCN(C)CCOC1(C)CNC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine?
The InChIKey is ICLYQLZRMWAIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(10-13-11-12)16-9-8-15(4)7-5-6-14(2)3/h13H,5-11H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine is sourced from PubChem (CID 102656938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).