(1S)-1-(azetidin-3-yl)ethanamine

C5H12N2 — CID 96955547

IUPAC(1S)-1-(azetidin-3-yl)ethanamine
SMILESC[C@H](N)C1CNC1
InChIInChI=1S/C5H12N2/c1-4(6)5-2-7-3-5/h4-5,7H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyWKDZCGJUMQDWBM-BYPYZUCNSA-N
MW100.16 g/mol
LogP-0.45
Rot. Bonds1

About (1S)-1-(azetidin-3-yl)ethanamine

(1S)-1-(azetidin-3-yl)ethanamine (PubChem CID 96955547) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (1S)-1-(azetidin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(azetidin-3-yl)ethanamine
PubChem CID96955547
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(1S)-1-(azetidin-3-yl)ethanamine
SMILESC[C@H](N)C1CNC1
InChIInChI=1S/C5H12N2/c1-4(6)5-2-7-3-5/h4-5,7H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyWKDZCGJUMQDWBM-BYPYZUCNSA-N
XLogP-0.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(azetidin-3-yl)ethanamine?
The IUPAC name of (1S)-1-(azetidin-3-yl)ethanamine (CID 96955547) is (1S)-1-(azetidin-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(azetidin-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(azetidin-3-yl)ethanamine is C[C@H](N)C1CNC1.
What is the InChIKey of (1S)-1-(azetidin-3-yl)ethanamine?
The InChIKey is WKDZCGJUMQDWBM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(6)5-2-7-3-5/h4-5,7H,2-3,6H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(azetidin-3-yl)ethanamine?
(1S)-1-(azetidin-3-yl)ethanamine has a molecular weight of 100.16 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(azetidin-3-yl)ethanamine is sourced from PubChem (CID 96955547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).