2-[3-(3-methylbutoxy)propylamino]ethanol

C10H23NO2 — CID 23342202

IUPAC2-[3-(3-methylbutoxy)propylamino]ethanol
SMILESCC(C)CCOCCCNCCO
InChIInChI=1S/C10H23NO2/c1-10(2)4-9-13-8-3-5-11-6-7-12/h10-12H,3-9H2,1-2H3
InChIKeyHNWJAPKDKRIRPM-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.02
Rot. Bonds9

About 2-[3-(3-methylbutoxy)propylamino]ethanol

2-[3-(3-methylbutoxy)propylamino]ethanol (PubChem CID 23342202) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[3-(3-methylbutoxy)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(3-methylbutoxy)propylamino]ethanol
PubChem CID23342202
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-[3-(3-methylbutoxy)propylamino]ethanol
SMILESCC(C)CCOCCCNCCO
InChIInChI=1S/C10H23NO2/c1-10(2)4-9-13-8-3-5-11-6-7-12/h10-12H,3-9H2,1-2H3
InChIKeyHNWJAPKDKRIRPM-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[3-(3-methylbutoxy)propylamino]ethanol?
The IUPAC name of 2-[3-(3-methylbutoxy)propylamino]ethanol (CID 23342202) is 2-[3-(3-methylbutoxy)propylamino]ethanol.
What is the SMILES notation for 2-[3-(3-methylbutoxy)propylamino]ethanol?
The canonical SMILES for 2-[3-(3-methylbutoxy)propylamino]ethanol is CC(C)CCOCCCNCCO.
What is the InChIKey of 2-[3-(3-methylbutoxy)propylamino]ethanol?
The InChIKey is HNWJAPKDKRIRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2)4-9-13-8-3-5-11-6-7-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[3-(3-methylbutoxy)propylamino]ethanol?
2-[3-(3-methylbutoxy)propylamino]ethanol has a molecular weight of 189.30 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutoxy)propylamino]ethanol is sourced from PubChem (CID 23342202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).