1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol

C9H21N3O — CID 67353939

IUPAC1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol
SMILESCN(C)CCCNCN1CC(O)C1
InChIInChI=1S/C9H21N3O/c1-11(2)5-3-4-10-8-12-6-9(13)7-12/h9-10,13H,3-8H2,1-2H3
InChIKeyWRTOJVKMDARWOJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.84
Rot. Bonds6

About 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol

1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol (PubChem CID 67353939) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol
PubChem CID67353939
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol
SMILESCN(C)CCCNCN1CC(O)C1
InChIInChI=1S/C9H21N3O/c1-11(2)5-3-4-10-8-12-6-9(13)7-12/h9-10,13H,3-8H2,1-2H3
InChIKeyWRTOJVKMDARWOJ-UHFFFAOYSA-N
XLogP-0.84
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol?
The IUPAC name of 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol (CID 67353939) is 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol is CN(C)CCCNCN1CC(O)C1.
What is the InChIKey of 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol?
The InChIKey is WRTOJVKMDARWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-11(2)5-3-4-10-8-12-6-9(13)7-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol?
1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol has a molecular weight of 187.29 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)propylamino]methyl]azetidin-3-ol is sourced from PubChem (CID 67353939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).