2-[3-(3-methylbutylamino)propoxy]ethanol

C10H23NO2 — CID 103578781

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

About 2-[3-(3-methylbutylamino)propoxy]ethanol

2-[3-(3-methylbutylamino)propoxy]ethanol (PubChem CID 103578781) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[3-(3-methylbutylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(3-methylbutylamino)propoxy]ethanol
PubChem CID103578781
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-[3-(3-methylbutylamino)propoxy]ethanol
SMILESCC(C)CCNCCCOCCO
InChIInChI=1S/C10H23NO2/c1-10(2)4-6-11-5-3-8-13-9-7-12/h10-12H,3-9H2,1-2H3
InChIKeyVJSGKHQTHZFZJM-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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Related Compounds

2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
CID 106309954
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
CID 106130932
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(3-methylbutylamino)propoxy]ethanol (CID 103578781) is 2-[3-(3-methylbutylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(3-methylbutylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(3-methylbutylamino)propoxy]ethanol is CC(C)CCNCCCOCCO.
What is the InChIKey of 2-[3-(3-methylbutylamino)propoxy]ethanol?
The InChIKey is VJSGKHQTHZFZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2)4-6-11-5-3-8-13-9-7-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[3-(3-methylbutylamino)propoxy]ethanol?
2-[3-(3-methylbutylamino)propoxy]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-methylbutylamino)propoxy]ethanol is sourced from PubChem (CID 103578781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).