1-(3-aminoazetidin-1-yl)propan-2-ol

C6H14N2O — CID 65250330

IUPAC1-(3-aminoazetidin-1-yl)propan-2-ol
SMILESCC(O)CN1CC(N)C1
InChIInChI=1S/C6H14N2O/c1-5(9)2-8-3-6(7)4-8/h5-6,9H,2-4,7H2,1H3
InChIKeyAHSITGWWAIFRPX-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.99
Rot. Bonds2

About 1-(3-aminoazetidin-1-yl)propan-2-ol

1-(3-aminoazetidin-1-yl)propan-2-ol (PubChem CID 65250330) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)propan-2-ol
PubChem CID65250330
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-(3-aminoazetidin-1-yl)propan-2-ol
SMILESCC(O)CN1CC(N)C1
InChIInChI=1S/C6H14N2O/c1-5(9)2-8-3-6(7)4-8/h5-6,9H,2-4,7H2,1H3
InChIKeyAHSITGWWAIFRPX-UHFFFAOYSA-N
XLogP-0.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-aminoazetidin-1-yl)propan-2-ol (CID 65250330) is 1-(3-aminoazetidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)propan-2-ol is CC(O)CN1CC(N)C1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)propan-2-ol?
The InChIKey is AHSITGWWAIFRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(9)2-8-3-6(7)4-8/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 1-(3-aminoazetidin-1-yl)propan-2-ol?
1-(3-aminoazetidin-1-yl)propan-2-ol has a molecular weight of 130.19 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)propan-2-ol is sourced from PubChem (CID 65250330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).