2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol

C16H35NO3 — CID 106255999

IUPAC2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
SMILESCCCCCCOCC(O)CNCC(CC)(CC)CO
InChIInChI=1S/C16H35NO3/c1-4-7-8-9-10-20-12-15(19)11-17-13-16(5-2,6-3)14-18/h15,17-19H,4-14H2,1-3H3
InChIKeyHBSASOGXFFSISA-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.33
Rot. Bonds14

About 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol (PubChem CID 106255999) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
PubChem CID106255999
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
SMILESCCCCCCOCC(O)CNCC(CC)(CC)CO
InChIInChI=1S/C16H35NO3/c1-4-7-8-9-10-20-12-15(19)11-17-13-16(5-2,6-3)14-18/h15,17-19H,4-14H2,1-3H3
InChIKeyHBSASOGXFFSISA-UHFFFAOYSA-N
XLogP2.33
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
CID 106175962
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106256034
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
2-[(3-heptadecoxy-2-hydroxypropyl)amino]-2-methylpropane-1,3-diol
CID 59593571
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol (CID 106255999) is 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol is CCCCCCOCC(O)CNCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol?
The InChIKey is HBSASOGXFFSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-4-7-8-9-10-20-12-15(19)11-17-13-16(5-2,6-3)14-18/h15,17-19H,4-14H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 2.33, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 106255999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).