1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol

C7H16N2O — CID 167139069

IUPAC1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol
SMILESCC1(C)CN(CC(N)O)C1
InChIInChI=1S/C7H16N2O/c1-7(2)4-9(5-7)3-6(8)10/h6,10H,3-5,8H2,1-2H3
InChIKeyFRVOXRXIMACNSE-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.39
Rot. Bonds2

About 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol

1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol (PubChem CID 167139069) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol.

Molecular Properties

Compound Name1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol
PubChem CID167139069
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol
SMILESCC1(C)CN(CC(N)O)C1
InChIInChI=1S/C7H16N2O/c1-7(2)4-9(5-7)3-6(8)10/h6,10H,3-5,8H2,1-2H3
InChIKeyFRVOXRXIMACNSE-UHFFFAOYSA-N
XLogP-0.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol?
The IUPAC name of 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol (CID 167139069) is 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol.
What is the SMILES notation for 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol?
The canonical SMILES for 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol is CC1(C)CN(CC(N)O)C1.
What is the InChIKey of 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol?
The InChIKey is FRVOXRXIMACNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2)4-9(5-7)3-6(8)10/h6,10H,3-5,8H2,1-2H3.
What are the key properties of 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol?
1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol is sourced from PubChem (CID 167139069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).