2-(Azetidin-3-yl)-N,N-dimethylethanamine

C7H16N2 — CID 84046733

IUPAC2-(azetidin-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CNC1
InChIInChI=1S/C7H16N2/c1-9(2)4-3-7-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeyWMXOYGGQFXYTNA-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.20
Rot. Bonds3

About 2-(Azetidin-3-yl)-N,N-dimethylethanamine

2-(Azetidin-3-yl)-N,N-dimethylethanamine (PubChem CID 84046733) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(Azetidin-3-yl)-N,N-dimethylethanamine
PubChem CID84046733
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-(azetidin-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CNC1
InChIInChI=1S/C7H16N2/c1-9(2)4-3-7-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeyWMXOYGGQFXYTNA-UHFFFAOYSA-N
XLogP0.20
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity77

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylazetidin-3-yl)ethan-1-amine
CID 75355386
(Azetidin-3-ylmethyl)dimethylamine
CID 22174727
1-(azetidin-3-yl)-N,N-dimethylmethanamine dihydrochloride
CID 23033542
Methyl[(1-methylazetidin-3-yl)methyl]amine
CID 23153040
3-(Propan-2-yl)azetidine hydrochloride
CID 71757114
3-(1-Methylazetidin-3-yl)propan-1-amine
CID 82593752
2-(1-Methylazetidin-3-yl)ethan-1-amine dihydrochloride
CID 132344514
[2-(Azetidin-3-yl)ethyl]dimethylamine dihydrochloride
CID 145874443
3-(Propan-2-yl)azetidine
CID 20517316
3-(1-Fluoroethyl)azetidine
CID 84647617
(2R,3S)-3-ethyl-2-fluoroazetidine
CID 174047281
Dimethyl(3-methylbutyl)azanium
CID 23277953

Frequently Asked Questions

What is the IUPAC name of 2-(Azetidin-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(Azetidin-3-yl)-N,N-dimethylethanamine (CID 84046733) is 2-(azetidin-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(Azetidin-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(Azetidin-3-yl)-N,N-dimethylethanamine is CN(C)CCC1CNC1.
What is the InChIKey of 2-(Azetidin-3-yl)-N,N-dimethylethanamine?
The InChIKey is WMXOYGGQFXYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-9(2)4-3-7-5-8-6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(Azetidin-3-yl)-N,N-dimethylethanamine?
2-(Azetidin-3-yl)-N,N-dimethylethanamine has a molecular weight of 128.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Azetidin-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 84046733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).