2-[3-(tert-butylamino)propoxy]ethanol

C9H21NO2 — CID 150900173

IUPAC2-[3-(tert-butylamino)propoxy]ethanol
SMILESCC(C)(C)NCCCOCCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)10-5-4-7-12-8-6-11/h10-11H,4-8H2,1-3H3
InChIKeyKZVOHCUUERXQFZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds6

About 2-[3-(tert-butylamino)propoxy]ethanol

2-[3-(tert-butylamino)propoxy]ethanol (PubChem CID 150900173) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propoxy]ethanol
PubChem CID150900173
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[3-(tert-butylamino)propoxy]ethanol
SMILESCC(C)(C)NCCCOCCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)10-5-4-7-12-8-6-11/h10-11H,4-8H2,1-3H3
InChIKeyKZVOHCUUERXQFZ-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
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

N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
CID 155219490
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
CID 62460782
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol
CID 167253727
N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
CID 118912417
N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
CID 135296593

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(tert-butylamino)propoxy]ethanol (CID 150900173) is 2-[3-(tert-butylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(tert-butylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(tert-butylamino)propoxy]ethanol is CC(C)(C)NCCCOCCO.
What is the InChIKey of 2-[3-(tert-butylamino)propoxy]ethanol?
The InChIKey is KZVOHCUUERXQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,3)10-5-4-7-12-8-6-11/h10-11H,4-8H2,1-3H3.
What are the key properties of 2-[3-(tert-butylamino)propoxy]ethanol?
2-[3-(tert-butylamino)propoxy]ethanol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propoxy]ethanol is sourced from PubChem (CID 150900173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).