1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol

C12H25NO3 — CID 60634018

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-12(2,3)16-9-10(14)7-13-8-11-5-4-6-15-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyZUHSJFVIWDMCNZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 60634018) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID60634018
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-12(2,3)16-9-10(14)7-13-8-11-5-4-6-15-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyZUHSJFVIWDMCNZ-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633578
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54880949
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
1-[3-[dimethyl(2-trimethylsilylethyl)silyl]propoxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 59758711
1-[(4-chlorophenyl)-(4-methylphenyl)methoxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 143729238
1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633751
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608
1-(2-cyclohexylethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54932851
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
1-(diethylamino)-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014004
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 60634018) is 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol is CC(C)(C)OCC(O)CNCC1CCCO1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is ZUHSJFVIWDMCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2,3)16-9-10(14)7-13-8-11-5-4-6-15-11/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60634018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).