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

C8H19NO2 — CID 13147008

IUPAC1-(dimethylamino)-3-propoxypropan-2-ol
SMILESCCCOCC(O)CN(C)C
InChIInChI=1S/C8H19NO2/c1-4-5-11-7-8(10)6-9(2)3/h8,10H,4-7H2,1-3H3
InChIKeyLOLIMINQOSJSTK-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.34
Rot. Bonds6

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

1-(dimethylamino)-3-propoxypropan-2-ol (PubChem CID 13147008) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(dimethylamino)-3-propoxypropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-propoxypropan-2-ol
PubChem CID13147008
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-(dimethylamino)-3-propoxypropan-2-ol
SMILESCCCOCC(O)CN(C)C
InChIInChI=1S/C8H19NO2/c1-4-5-11-7-8(10)6-9(2)3/h8,10H,4-7H2,1-3H3
InChIKeyLOLIMINQOSJSTK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-propoxypropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-propoxypropan-2-ol (CID 13147008) is 1-(dimethylamino)-3-propoxypropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-propoxypropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-propoxypropan-2-ol is CCCOCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-propoxypropan-2-ol?
The InChIKey is LOLIMINQOSJSTK-UHFFFAOYSA-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.
What are the key properties of 1-(dimethylamino)-3-propoxypropan-2-ol?
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 1-(dimethylamino)-3-propoxypropan-2-ol is sourced from PubChem (CID 13147008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).