1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol

C15H33NO3 — CID 114941923

IUPAC1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COCCCC(C)C
InChIInChI=1S/C15H33NO3/c1-6-19-15(4,5)12-16-10-14(17)11-18-9-7-8-13(2)3/h13-14,16-17H,6-12H2,1-5H3
InChIKeyWQGWLJOMQOKYCB-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.20
Rot. Bonds12

About 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol

1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol (PubChem CID 114941923) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol
PubChem CID114941923
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COCCCC(C)C
InChIInChI=1S/C15H33NO3/c1-6-19-15(4,5)12-16-10-14(17)11-18-9-7-8-13(2)3/h13-14,16-17H,6-12H2,1-5H3
InChIKeyWQGWLJOMQOKYCB-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol
CID 106146723
1-[(2-ethoxy-2-methylpropyl)amino]-3-methoxypropan-2-ol
CID 114942086
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
CID 113478776
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
4-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]phenol
CID 114331765
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol (CID 114941923) is 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol is CCOC(C)(C)CNCC(O)COCCCC(C)C.
What is the InChIKey of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is WQGWLJOMQOKYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-6-19-15(4,5)12-16-10-14(17)11-18-9-7-8-13(2)3/h13-14,16-17H,6-12H2,1-5H3.
What are the key properties of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol?
1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 275.43 g/mol, XLogP of 2.20, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 114941923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).