2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol

C11H23NO3 — CID 64809739

IUPAC2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COC1CCOC1
InChIInChI=1S/C11H23NO3/c1-3-5-12-11(2,8-13)9-15-10-4-6-14-7-10/h10,12-13H,3-9H2,1-2H3
InChIKeyHTYBCWPCFGVLIY-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds7

About 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol

2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol (PubChem CID 64809739) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol
PubChem CID64809739
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COC1CCOC1
InChIInChI=1S/C11H23NO3/c1-3-5-12-11(2,8-13)9-15-10-4-6-14-7-10/h10,12-13H,3-9H2,1-2H3
InChIKeyHTYBCWPCFGVLIY-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-(oxolan-3-yloxy)propan-1-ol
CID 64808693
2-methyl-1-(oxolan-3-yloxy)-3-(propylamino)propan-2-ol
CID 66335508
2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
CID 63921207
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
3-cyclohexyloxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64805107
3-propoxyoxolane
CID 14071397
2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
CID 64810792
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
ethane;3-ethoxyoxolane
CID 142523367
3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
CID 63558901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol (CID 64809739) is 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol is CCCNC(C)(CO)COC1CCOC1.
What is the InChIKey of 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol?
The InChIKey is HTYBCWPCFGVLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-5-12-11(2,8-13)9-15-10-4-6-14-7-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol?
2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-3-yloxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64809739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).