2-(3,3-dimethylazetidin-1-yl)ethanamine

C7H16N2 — CID 55289245

IUPAC2-(3,3-dimethylazetidin-1-yl)ethanamine
SMILESCC1(C)CN(CCN)C1
InChIInChI=1S/C7H16N2/c1-7(2)5-9(6-7)4-3-8/h3-6,8H2,1-2H3
InChIKeyXOZNEYGYVLIZJK-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.29
Rot. Bonds2

About 2-(3,3-dimethylazetidin-1-yl)ethanamine

2-(3,3-dimethylazetidin-1-yl)ethanamine (PubChem CID 55289245) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-(3,3-dimethylazetidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylazetidin-1-yl)ethanamine
PubChem CID55289245
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-(3,3-dimethylazetidin-1-yl)ethanamine
SMILESCC1(C)CN(CCN)C1
InChIInChI=1S/C7H16N2/c1-7(2)5-9(6-7)4-3-8/h3-6,8H2,1-2H3
InChIKeyXOZNEYGYVLIZJK-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylazetidin-1-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethylazetidin-1-yl)ethanamine (CID 55289245) is 2-(3,3-dimethylazetidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylazetidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylazetidin-1-yl)ethanamine is CC1(C)CN(CCN)C1.
What is the InChIKey of 2-(3,3-dimethylazetidin-1-yl)ethanamine?
The InChIKey is XOZNEYGYVLIZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)5-9(6-7)4-3-8/h3-6,8H2,1-2H3.
What are the key properties of 2-(3,3-dimethylazetidin-1-yl)ethanamine?
2-(3,3-dimethylazetidin-1-yl)ethanamine has a molecular weight of 128.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylazetidin-1-yl)ethanamine is sourced from PubChem (CID 55289245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).