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

C8H17NO2 — CID 2793817

IUPAC1-(dimethylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-11-7-8(10)6-9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyBGQFHIFQXIMEJB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.11
Rot. Bonds6

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

1-(dimethylamino)-3-prop-2-enoxypropan-2-ol (PubChem CID 2793817) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-prop-2-enoxypropan-2-ol
PubChem CID2793817
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(dimethylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-11-7-8(10)6-9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyBGQFHIFQXIMEJB-UHFFFAOYSA-N
XLogP0.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.11
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'}

Analyze 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methylpiperazin-1-yl)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 18593528
1-(Allyloxy)-3-morpholinopropan-2-ol
CID 13312052
(2-Hydroxy-3-prop-2-enoyloxypropyl)-trimethylazanium
CID 114450
1-[Bis(2-hydroxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 13725666
(2-Hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride
CID 23227966
(3-(Allyloxy)-2-hydroxypropyl)dimethylammonium acetate
CID 44146282
1-(Dibutylamino)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 261304
1-(Butylamino)-3-prop-2-enoxypropan-2-ol
CID 316364
N-ethyl-N-(3-allyloxy-2-hydroxypropyl)sulfamic acid
CID 15323044
1-(Allyloxy)-3-(dimethylamino)propan-2-ol hydrochloride
CID 3022344
((3-Allyloxy-2-hydroxy)propyl)trimethylammonium chloride
CID 90659605
1-[Hydroxy-(2-hydroxy-3-prop-2-enoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 170842524

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol (CID 2793817) is 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol?
The InChIKey is BGQFHIFQXIMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-11-7-8(10)6-9(2)3/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol?
1-(dimethylamino)-3-prop-2-enoxypropan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.11, 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 is sourced from PubChem (CID 2793817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).