3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol

C15H27NO3S — CID 106285514

IUPAC3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)COCc1cccs1
InChIInChI=1S/C15H27NO3S/c1-3-12(4-2)15(18)9-16-8-13(17)10-19-11-14-6-5-7-20-14/h5-7,12-13,15-18H,3-4,8-11H2,1-2H3
InChIKeyIMVOYZZKMBMEQJ-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.01
Rot. Bonds11

About 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol

3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol (PubChem CID 106285514) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
PubChem CID106285514
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)COCc1cccs1
InChIInChI=1S/C15H27NO3S/c1-3-12(4-2)15(18)9-16-8-13(17)10-19-11-14-6-5-7-20-14/h5-7,12-13,15-18H,3-4,8-11H2,1-2H3
InChIKeyIMVOYZZKMBMEQJ-UHFFFAOYSA-N
XLogP2.01
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol with MolForge

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Related Compounds

1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
CID 106115240
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
1-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65123112
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol (CID 106285514) is 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol is CCC(CC)C(O)CNCC(O)COCc1cccs1.
What is the InChIKey of 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol?
The InChIKey is IMVOYZZKMBMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-3-12(4-2)15(18)9-16-8-13(17)10-19-11-14-6-5-7-20-14/h5-7,12-13,15-18H,3-4,8-11H2,1-2H3.
What are the key properties of 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol?
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol has a molecular weight of 301.45 g/mol, XLogP of 2.01, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol is sourced from PubChem (CID 106285514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).