1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol

C13H29NO3 — CID 106991752

IUPAC1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
SMILESCOCC(C)OCC(O)CN(C)C(C)C(C)C
InChIInChI=1S/C13H29NO3/c1-10(2)12(4)14(5)7-13(15)9-17-11(3)8-16-6/h10-13,15H,7-9H2,1-6H3
InChIKeyMQPDYVVLOXHSSO-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.38
Rot. Bonds9

About 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol (PubChem CID 106991752) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
PubChem CID106991752
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
SMILESCOCC(C)OCC(O)CN(C)C(C)C(C)C
InChIInChI=1S/C13H29NO3/c1-10(2)12(4)14(5)7-13(15)9-17-11(3)8-16-6/h10-13,15H,7-9H2,1-6H3
InChIKeyMQPDYVVLOXHSSO-UHFFFAOYSA-N
XLogP1.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992238
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-(1-methoxypropan-2-yloxy)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 106991777
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
CID 79406690
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol
CID 22947108

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol (CID 106991752) is 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol is COCC(C)OCC(O)CN(C)C(C)C(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol?
The InChIKey is MQPDYVVLOXHSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-10(2)12(4)14(5)7-13(15)9-17-11(3)8-16-6/h10-13,15H,7-9H2,1-6H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 106991752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).