1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol

C17H35NO3 — CID 103581424

IUPAC1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC1(C)CCOC1C
InChIInChI=1S/C17H35NO3/c1-5-7-8-15(6-2)12-20-13-16(19)11-18-17(4)9-10-21-14(17)3/h14-16,18-19H,5-13H2,1-4H3
InChIKeyFYUIKQLKRIFYKD-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.74
Rot. Bonds11

About 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol

1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol (PubChem CID 103581424) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
PubChem CID103581424
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC1(C)CCOC1C
InChIInChI=1S/C17H35NO3/c1-5-7-8-15(6-2)12-20-13-16(19)11-18-17(4)9-10-21-14(17)3/h14-16,18-19H,5-13H2,1-4H3
InChIKeyFYUIKQLKRIFYKD-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 61365174
1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
CID 103581402
CID 88753128
CID 88753128
1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039364
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
1-(2-ethylhexoxy)-3-(4-iodoanilino)propan-2-ol
CID 63489545
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol
CID 115609499
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol?
The IUPAC name of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol (CID 103581424) is 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol?
The canonical SMILES for 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol is CCCCC(CC)COCC(O)CNC1(C)CCOC1C.
What is the InChIKey of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol?
The InChIKey is FYUIKQLKRIFYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-5-7-8-15(6-2)12-20-13-16(19)11-18-17(4)9-10-21-14(17)3/h14-16,18-19H,5-13H2,1-4H3.
What are the key properties of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol?
1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol has a molecular weight of 301.47 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol is sourced from PubChem (CID 103581424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).