amino-[3-(methylamino)azetidin-1-yl]methanol

C5H13N3O — CID 171532513

IUPACamino-[3-(methylamino)azetidin-1-yl]methanol
SMILESCNC1CN(C(N)O)C1
InChIInChI=1S/C5H13N3O/c1-7-4-2-8(3-4)5(6)9/h4-5,7,9H,2-3,6H2,1H3
InChIKeySDJIQXAPWVHYQR-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.88
Rot. Bonds2

About amino-[3-(methylamino)azetidin-1-yl]methanol

amino-[3-(methylamino)azetidin-1-yl]methanol (PubChem CID 171532513) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is amino-[3-(methylamino)azetidin-1-yl]methanol.

Molecular Properties

Compound Nameamino-[3-(methylamino)azetidin-1-yl]methanol
PubChem CID171532513
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Nameamino-[3-(methylamino)azetidin-1-yl]methanol
SMILESCNC1CN(C(N)O)C1
InChIInChI=1S/C5H13N3O/c1-7-4-2-8(3-4)5(6)9/h4-5,7,9H,2-3,6H2,1H3
InChIKeySDJIQXAPWVHYQR-UHFFFAOYSA-N
XLogP-1.88
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[3-(methylamino)azetidin-1-yl]methanol?
The IUPAC name of amino-[3-(methylamino)azetidin-1-yl]methanol (CID 171532513) is amino-[3-(methylamino)azetidin-1-yl]methanol.
What is the SMILES notation for amino-[3-(methylamino)azetidin-1-yl]methanol?
The canonical SMILES for amino-[3-(methylamino)azetidin-1-yl]methanol is CNC1CN(C(N)O)C1.
What is the InChIKey of amino-[3-(methylamino)azetidin-1-yl]methanol?
The InChIKey is SDJIQXAPWVHYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-7-4-2-8(3-4)5(6)9/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of amino-[3-(methylamino)azetidin-1-yl]methanol?
amino-[3-(methylamino)azetidin-1-yl]methanol has a molecular weight of 131.18 g/mol, XLogP of -1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3-(methylamino)azetidin-1-yl]methanol is sourced from PubChem (CID 171532513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).