1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol

C17H37NO3 — CID 106293040

IUPAC1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(C)(O)CCC
InChIInChI=1S/C17H37NO3/c1-5-8-9-15(7-3)12-21-13-16(19)11-18-14-17(4,20)10-6-2/h15-16,18-20H,5-14H2,1-4H3
InChIKeyBQBKYNVYYMYBQZ-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.72
Rot. Bonds14

About 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol

1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol (PubChem CID 106293040) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
PubChem CID106293040
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Name1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(C)(O)CCC
InChIInChI=1S/C17H37NO3/c1-5-8-9-15(7-3)12-21-13-16(19)11-18-14-17(4,20)10-6-2/h15-16,18-20H,5-14H2,1-4H3
InChIKeyBQBKYNVYYMYBQZ-UHFFFAOYSA-N
XLogP2.72
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol with MolForge

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Related Compounds

1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
CID 66335346
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
CID 88753128
CID 88753128
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol
CID 115609499
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
1-(2-ethylhexoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467652
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol (CID 106293040) is 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol is CCCCC(CC)COCC(O)CNCC(C)(O)CCC.
What is the InChIKey of 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
The InChIKey is BQBKYNVYYMYBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3/c1-5-8-9-15(7-3)12-21-13-16(19)11-18-14-17(4,20)10-6-2/h15-16,18-20H,5-14H2,1-4H3.
What are the key properties of 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol has a molecular weight of 303.49 g/mol, XLogP of 2.72, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106293040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).