1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol

C16H33NO3 — CID 61039364

IUPAC1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC1CCOC1
InChIInChI=1S/C16H33NO3/c1-3-5-6-14(4-2)11-20-13-16(18)10-17-9-15-7-8-19-12-15/h14-18H,3-13H2,1-2H3
InChIKeyASKQPZKAKIJJCX-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.21
Rot. Bonds12

About 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol

1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol (PubChem CID 61039364) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
PubChem CID61039364
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC1CCOC1
InChIInChI=1S/C16H33NO3/c1-3-5-6-14(4-2)11-20-13-16(18)10-17-9-15-7-8-19-12-15/h14-18H,3-13H2,1-2H3
InChIKeyASKQPZKAKIJJCX-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-(oxan-4-ylmethylamino)pentan-2-ol
CID 115685627
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
CID 88753128
CID 88753128
3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide
CID 163788234
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
CID 103581424
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol (CID 61039364) is 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol is CCCCC(CC)COCC(O)CNCC1CCOC1.
What is the InChIKey of 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The InChIKey is ASKQPZKAKIJJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-5-6-14(4-2)11-20-13-16(18)10-17-9-15-7-8-19-12-15/h14-18H,3-13H2,1-2H3.
What are the key properties of 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 2.21, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 61039364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).