(2S)-1-(dimethylamino)-3-propoxypropan-2-ol

C8H19NO2 — CID 170849658

IUPAC(2S)-1-(dimethylamino)-3-propoxypropan-2-ol
SMILESCCCOC[C@@H](O)CN(C)C
InChIInChI=1S/C8H19NO2/c1-4-5-11-7-8(10)6-9(2)3/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyLOLIMINQOSJSTK-QMMMGPOBSA-N
MW161.25 g/mol
LogP0.34
Rot. Bonds6

About (2S)-1-(dimethylamino)-3-propoxypropan-2-ol

(2S)-1-(dimethylamino)-3-propoxypropan-2-ol (PubChem CID 170849658) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is (2S)-1-(dimethylamino)-3-propoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dimethylamino)-3-propoxypropan-2-ol
PubChem CID170849658
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name(2S)-1-(dimethylamino)-3-propoxypropan-2-ol
SMILESCCCOC[C@@H](O)CN(C)C
InChIInChI=1S/C8H19NO2/c1-4-5-11-7-8(10)6-9(2)3/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyLOLIMINQOSJSTK-QMMMGPOBSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.34
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

3-(Dimethylamino)-1,2-propanediol
CID 79078
3-(Diethylamino)-1,2-propanediol
CID 79074
(2,3-Dihydroxypropyl)trimethylammonium chloride
CID 161796
3-[Ethyl(propyl)amino]propane-1,2-diol
CID 81935654
2-Propanol, 1-butoxy-3-(dimethylamino)-
CID 13147009
3-(Dipropylamino)propane-1,2-diol
CID 108435
1-Butoxy-3-(morpholin-4-yl)propan-2-ol
CID 215187
2-Propanol, 1-butoxy-3-(diethylamino)-
CID 208770
N,N,N-Triethyl-2,3-dihydroxypropan-1-aminium chloride
CID 215421
1-tert-Butoxy-3-(diethylamino)propan-2-ol
CID 3078054
Poly(oxy(methyl-1,2-ethanediyl)), alpha-(2-(diethylamino)ethyl)-omega-hydroxy-
CID 107106
2-(2-Dibutylamino-ethoxy)-ethanol
CID 174967

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylamino)-3-propoxypropan-2-ol?
The IUPAC name of (2S)-1-(dimethylamino)-3-propoxypropan-2-ol (CID 170849658) is (2S)-1-(dimethylamino)-3-propoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(dimethylamino)-3-propoxypropan-2-ol?
The canonical SMILES for (2S)-1-(dimethylamino)-3-propoxypropan-2-ol is CCCOC[C@@H](O)CN(C)C.
What is the InChIKey of (2S)-1-(dimethylamino)-3-propoxypropan-2-ol?
The InChIKey is LOLIMINQOSJSTK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-5-11-7-8(10)6-9(2)3/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-(dimethylamino)-3-propoxypropan-2-ol?
(2S)-1-(dimethylamino)-3-propoxypropan-2-ol has a molecular weight of 161.25 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylamino)-3-propoxypropan-2-ol is sourced from PubChem (CID 170849658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).