1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol

C13H30N2O4 — CID 115475131

IUPAC1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
SMILESCOCCNCC(O)CN(CCOC)C(C)COC
InChIInChI=1S/C13H30N2O4/c1-12(11-19-4)15(6-8-18-3)10-13(16)9-14-5-7-17-2/h12-14,16H,5-11H2,1-4H3
InChIKeyHLUWRDHQSSKNFT-UHFFFAOYSA-N
MW278.39 g/mol
LogP-0.43
Rot. Bonds13

About 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol

1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol (PubChem CID 115475131) has the molecular formula C13H30N2O4 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
PubChem CID115475131
Molecular FormulaC13H30N2O4
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
SMILESCOCCNCC(O)CN(CCOC)C(C)COC
InChIInChI=1S/C13H30N2O4/c1-12(11-19-4)15(6-8-18-3)10-13(16)9-14-5-7-17-2/h12-14,16H,5-11H2,1-4H3
InChIKeyHLUWRDHQSSKNFT-UHFFFAOYSA-N
XLogP-0.43
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747
1-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 61059447
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317500
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
2-N-(2-methoxyethyl)-1-N-(3-methylbutyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569208
3-[[2-hydroxy-3-(2-methoxyethylamino)propyl]-(2-methylpropyl)amino]propanenitrile
CID 113317541
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol (CID 115475131) is 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol is COCCNCC(O)CN(CCOC)C(C)COC.
What is the InChIKey of 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol?
The InChIKey is HLUWRDHQSSKNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O4/c1-12(11-19-4)15(6-8-18-3)10-13(16)9-14-5-7-17-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol?
1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol has a molecular weight of 278.39 g/mol, XLogP of -0.43, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 115475131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).