2-(azetidin-3-yl)-N-methylethanamine;ethane

C8H20N2 — CID 156743825

IUPAC2-(azetidin-3-yl)-N-methylethanamine;ethane
SMILESCC.CNCCC1CNC1
InChIInChI=1S/C6H14N2.C2H6/c1-7-3-2-6-4-8-5-6;1-2/h6-8H,2-5H2,1H3;1-2H3
InChIKeyITQCZSSJCKKMRE-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.84
Rot. Bonds3

About 2-(azetidin-3-yl)-N-methylethanamine;ethane

2-(azetidin-3-yl)-N-methylethanamine;ethane (PubChem CID 156743825) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methylethanamine;ethane.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methylethanamine;ethane
PubChem CID156743825
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-(azetidin-3-yl)-N-methylethanamine;ethane
SMILESCC.CNCCC1CNC1
InChIInChI=1S/C6H14N2.C2H6/c1-7-3-2-6-4-8-5-6;1-2/h6-8H,2-5H2,1H3;1-2H3
InChIKeyITQCZSSJCKKMRE-UHFFFAOYSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine
CID 116680425
1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine
CID 67330739
N-[2-(azetidin-3-yl)ethyl]-3-methylcyclobutan-1-amine
CID 116680413
N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
CID 116679937
N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine
CID 171641847
3-butylazetidine
CID 20827268
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine
CID 155475971
CID 178011820
CID 178011820
ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine
CID 145117685

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methylethanamine;ethane?
The IUPAC name of 2-(azetidin-3-yl)-N-methylethanamine;ethane (CID 156743825) is 2-(azetidin-3-yl)-N-methylethanamine;ethane.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methylethanamine;ethane?
The canonical SMILES for 2-(azetidin-3-yl)-N-methylethanamine;ethane is CC.CNCCC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methylethanamine;ethane?
The InChIKey is ITQCZSSJCKKMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H6/c1-7-3-2-6-4-8-5-6;1-2/h6-8H,2-5H2,1H3;1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-methylethanamine;ethane?
2-(azetidin-3-yl)-N-methylethanamine;ethane has a molecular weight of 144.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-methylethanamine;ethane is sourced from PubChem (CID 156743825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).