3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol

C9H21NO2 — CID 57293058

IUPAC3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol
SMILESCC(CO)COCCCN(C)C
InChIInChI=1S/C9H21NO2/c1-9(7-11)8-12-6-4-5-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyIDISYIJOWAHRKC-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.58
Rot. Bonds7

About 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol

3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol (PubChem CID 57293058) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol
PubChem CID57293058
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol
SMILESCC(CO)COCCCN(C)C
InChIInChI=1S/C9H21NO2/c1-9(7-11)8-12-6-4-5-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyIDISYIJOWAHRKC-UHFFFAOYSA-N
XLogP0.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

gamma-Di-i-butylaminopropanol
CID 3030978
2-[(Dimethylamino)methyl]-2-methylpropane-1,3-diol
CID 15348370
(3-Hydroxy-2-methylpropyl)-trimethylazanium hydroxide
CID 14718014
(3-Hydroxy-2-methylpropyl)-trimethylazanium
CID 14718015
2-((Dimethylamino)methyl)propane-1,3-diol
CID 14948471
2-(Diethylaminomethyl)-2-methylpropane-1,3-diol
CID 14959343
3-[Bis(3-methoxypropyl)amino]propan-1-ol
CID 19077495
2-[(Dipropylamino)methyl]-2-methylpropane-1,3-diol
CID 19890019
2-[[Bis(2-methylpropyl)amino]methyl]-2-methylpropane-1,3-diol
CID 19890052
1,3-Propanediol, 1-(dimethylamino)-2-(hydroxymethyl)-
CID 19959583
3-[Butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol
CID 20543996
[3-(2,3-Dihydroxypropoxy)-2-methylpropyl]-trimethylazanium
CID 20603111

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol (CID 57293058) is 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol is CC(CO)COCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol?
The InChIKey is IDISYIJOWAHRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(7-11)8-12-6-4-5-10(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol?
3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 57293058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).