1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride

C8H18ClNO2 — CID 3022344

IUPAC1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
SMILESC=CCOCC(O)CN(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-5-11-7-8(10)6-9(2)3;/h4,8,10H,1,5-7H2,2-3H3;1H
InChIKeyWSZAPMGDUPIFRA-UHFFFAOYSA-N
MW195.69 g/mol
LogP0.53
Rot. Bonds6

About 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride

1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride (PubChem CID 3022344) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
PubChem CID3022344
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
SMILESC=CCOCC(O)CN(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-5-11-7-8(10)6-9(2)3;/h4,8,10H,1,5-7H2,2-3H3;1H
InChIKeyWSZAPMGDUPIFRA-UHFFFAOYSA-N
XLogP0.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
CID 154701098
CID 154701098
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
1-[(6-methoxy-2-pyridinyl)-methylamino]-3-prop-2-enoxypropan-2-ol
CID 74225968
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol
CID 58067985
1-(dimethylamino)-3-octadecoxypropan-2-ol;hydrobromide
CID 87356589
1-hydrazinyl-3-prop-2-enoxypropan-2-ol
CID 130123997

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride (CID 3022344) is 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride is C=CCOCC(O)CN(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride?
The InChIKey is WSZAPMGDUPIFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-5-11-7-8(10)6-9(2)3;/h4,8,10H,1,5-7H2,2-3H3;1H.
What are the key properties of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride?
1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 3022344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).