1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

C12H25NO4 — CID 106990600

IUPAC1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)COCCOC
InChIInChI=1S/C12H25NO4/c1-11(2)9-16-5-4-13-8-12(14)10-17-7-6-15-3/h12-14H,1,4-10H2,2-3H3
InChIKeyFBKASPXCZYVIGB-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.19
Rot. Bonds12

About 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (PubChem CID 106990600) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
PubChem CID106990600
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)COCCOC
InChIInChI=1S/C12H25NO4/c1-11(2)9-16-5-4-13-8-12(14)10-17-7-6-15-3/h12-14H,1,4-10H2,2-3H3
InChIKeyFBKASPXCZYVIGB-UHFFFAOYSA-N
XLogP0.19
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-Propanol, 1,1'-iminobis(3-allyloxy-
CID 96205
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-propenyloxy)-
CID 3067042
[2-Hydroxy-3-(2-hydroxyethylamino)propyl] 2-methylprop-2-enoate
CID 58999382
1-(Butylamino)-3-prop-2-enoxypropan-2-ol
CID 316364
1-[(3-Methoxypropyl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 295412
1-(2-Hydroxyethylamino)-3-prop-2-enoxypropan-2-ol
CID 12521259
1-(Ethylamino)-3-prop-2-enoxypropan-2-ol
CID 15323045
But-1-ene;1-[(2-hydroxy-3-prop-2-enoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 17774236
1-(Dipropylamino)-3-(2-methylprop-2-enoxy)propan-2-ol
CID 20203883
1-(Diethylamino)-3-(2-methylprop-2-enoxy)propan-2-ol
CID 20203893
2-[[2-Hydroxy-3-(2-methylprop-2-enoxy)propyl]amino]acetic acid
CID 20489964
1-(2-Methylbutylamino)-3-prop-2-enoxypropan-2-ol
CID 20730053

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (CID 106990600) is 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is C=C(C)COCCNCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The InChIKey is FBKASPXCZYVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11(2)9-16-5-4-13-8-12(14)10-17-7-6-15-3/h12-14H,1,4-10H2,2-3H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol has a molecular weight of 247.33 g/mol, XLogP of 0.19, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 106990600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).