2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol

C9H19NO2 — CID 90244806

IUPAC2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol
SMILESC=CCOCC(C)CNCCO
InChIInChI=1S/C9H19NO2/c1-3-6-12-8-9(2)7-10-4-5-11/h3,9-11H,1,4-8H2,2H3
InChIKeyCNXUKMVUJVLOHO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.41
Rot. Bonds8

About 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol

2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol (PubChem CID 90244806) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol
PubChem CID90244806
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol
SMILESC=CCOCC(C)CNCCO
InChIInChI=1S/C9H19NO2/c1-3-6-12-8-9(2)7-10-4-5-11/h3,9-11H,1,4-8H2,2H3
InChIKeyCNXUKMVUJVLOHO-UHFFFAOYSA-N
XLogP0.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol?
The IUPAC name of 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol (CID 90244806) is 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol.
What is the SMILES notation for 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol?
The canonical SMILES for 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol is C=CCOCC(C)CNCCO.
What is the InChIKey of 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol?
The InChIKey is CNXUKMVUJVLOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-6-12-8-9(2)7-10-4-5-11/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol?
2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-prop-2-enoxypropyl)amino]ethanol is sourced from PubChem (CID 90244806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).