1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol

C13H27NO3 — CID 54938470

IUPAC1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCC(C)COCC(O)CNC(C)C1CCCO1
InChIInChI=1S/C13H27NO3/c1-10(2)8-16-9-12(15)7-14-11(3)13-5-4-6-17-13/h10-15H,4-9H2,1-3H3
InChIKeyVKFGRBJEVLHXAB-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.18
Rot. Bonds8

About 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol

1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol (PubChem CID 54938470) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
PubChem CID54938470
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCC(C)COCC(O)CNC(C)C1CCCO1
InChIInChI=1S/C13H27NO3/c1-10(2)8-16-9-12(15)7-14-11(3)13-5-4-6-17-13/h10-15H,4-9H2,1-3H3
InChIKeyVKFGRBJEVLHXAB-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

1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938520
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
CID 54938328
1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
CID 167757207
2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 63686991
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 114147912
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160886
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol (CID 54938470) is 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol is CC(C)COCC(O)CNC(C)C1CCCO1.
What is the InChIKey of 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
The InChIKey is VKFGRBJEVLHXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-10(2)8-16-9-12(15)7-14-11(3)13-5-4-6-17-13/h10-15H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]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-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 54938470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).