3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol

C15H33NO3 — CID 103993473

IUPAC3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
SMILESCCCCCCOCC(O)CNC(C)(C)C(C)(C)O
InChIInChI=1S/C15H33NO3/c1-6-7-8-9-10-19-12-13(17)11-16-14(2,3)15(4,5)18/h13,16-18H,6-12H2,1-5H3
InChIKeyNHZIVLIGHWFMSB-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.08
Rot. Bonds11

About 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol

3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 103993473) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID103993473
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
SMILESCCCCCCOCC(O)CNC(C)(C)C(C)(C)O
InChIInChI=1S/C15H33NO3/c1-6-7-8-9-10-19-12-13(17)11-16-14(2,3)15(4,5)18/h13,16-18H,6-12H2,1-5H3
InChIKeyNHZIVLIGHWFMSB-UHFFFAOYSA-N
XLogP2.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.08
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

1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
2-[(3-heptadecoxy-2-hydroxypropyl)amino]-2-methylpropane-1,3-diol
CID 59593571
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol (CID 103993473) is 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol is CCCCCCOCC(O)CNC(C)(C)C(C)(C)O.
What is the InChIKey of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is NHZIVLIGHWFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-6-7-8-9-10-19-12-13(17)11-16-14(2,3)15(4,5)18/h13,16-18H,6-12H2,1-5H3.
What are the key properties of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol?
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 275.43 g/mol, XLogP of 2.08, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103993473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).