1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol

C8H17NO3 — CID 4075796

IUPAC1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol
SMILESC=COCCOCC(O)CNC
InChIInChI=1S/C8H17NO3/c1-3-11-4-5-12-7-8(10)6-9-2/h3,8-10H,1,4-7H2,2H3
InChIKeyJBJUYKNXEJTPOH-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.26
Rot. Bonds8

About 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol

1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol (PubChem CID 4075796) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol
PubChem CID4075796
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol
SMILESC=COCCOCC(O)CNC
InChIInChI=1S/C8H17NO3/c1-3-11-4-5-12-7-8(10)6-9-2/h3,8-10H,1,4-7H2,2H3
InChIKeyJBJUYKNXEJTPOH-UHFFFAOYSA-N
XLogP-0.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol (CID 4075796) is 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol is C=COCCOCC(O)CNC.
What is the InChIKey of 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol?
The InChIKey is JBJUYKNXEJTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-11-4-5-12-7-8(10)6-9-2/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol?
1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol has a molecular weight of 175.23 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 4075796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).