[3-(aminomethyl)azetidin-3-yl]methanol

C5H12N2O — CID 55281772

IUPAC[3-(aminomethyl)azetidin-3-yl]methanol
SMILESNCC1(CO)CNC1
InChIInChI=1S/C5H12N2O/c6-1-5(4-8)2-7-3-5/h7-8H,1-4,6H2
InChIKeyBRUPHZXXWOMCNR-UHFFFAOYSA-N
MW116.16 g/mol
LogP-1.47
Rot. Bonds2

About [3-(aminomethyl)azetidin-3-yl]methanol

[3-(aminomethyl)azetidin-3-yl]methanol (PubChem CID 55281772) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is [3-(aminomethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)azetidin-3-yl]methanol
PubChem CID55281772
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name[3-(aminomethyl)azetidin-3-yl]methanol
SMILESNCC1(CO)CNC1
InChIInChI=1S/C5H12N2O/c6-1-5(4-8)2-7-3-5/h7-8H,1-4,6H2
InChIKeyBRUPHZXXWOMCNR-UHFFFAOYSA-N
XLogP-1.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)azetidin-3-yl]methanol?
The IUPAC name of [3-(aminomethyl)azetidin-3-yl]methanol (CID 55281772) is [3-(aminomethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [3-(aminomethyl)azetidin-3-yl]methanol?
The canonical SMILES for [3-(aminomethyl)azetidin-3-yl]methanol is NCC1(CO)CNC1.
What is the InChIKey of [3-(aminomethyl)azetidin-3-yl]methanol?
The InChIKey is BRUPHZXXWOMCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-1-5(4-8)2-7-3-5/h7-8H,1-4,6H2.
What are the key properties of [3-(aminomethyl)azetidin-3-yl]methanol?
[3-(aminomethyl)azetidin-3-yl]methanol has a molecular weight of 116.16 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 55281772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).