1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol

C13H27NO3 — CID 80714149

IUPAC1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC1CCOC1
InChIInChI=1S/C13H27NO3/c1-10(2)6-11(3)17-9-13(15)7-14-12-4-5-16-8-12/h10-15H,4-9H2,1-3H3
InChIKeyTVPISAXRPOLYLH-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.18
Rot. Bonds8

About 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol

1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol (PubChem CID 80714149) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol
PubChem CID80714149
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC1CCOC1
InChIInChI=1S/C13H27NO3/c1-10(2)6-11(3)17-9-13(15)7-14-12-4-5-16-8-12/h10-15H,4-9H2,1-3H3
InChIKeyTVPISAXRPOLYLH-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol
CID 80714151
1-[(2-methylcyclopentyl)amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 55172046
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899801
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754
4-methyl-2-[(oxan-3-ylamino)methyl]pentanoic acid
CID 122127774
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol (CID 80714149) is 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol is CC(C)CC(C)OCC(O)CNC1CCOC1.
What is the InChIKey of 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol?
The InChIKey is TVPISAXRPOLYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-10(2)6-11(3)17-9-13(15)7-14-12-4-5-16-8-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol?
1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol is sourced from PubChem (CID 80714149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).