5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol

C16H35NO3 — CID 106130441

IUPAC5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
SMILESCCCCCCCCOCC(O)CNCCCC(C)O
InChIInChI=1S/C16H35NO3/c1-3-4-5-6-7-8-12-20-14-16(19)13-17-11-9-10-15(2)18/h15-19H,3-14H2,1-2H3
InChIKeyAHEXSIIGYTYCHJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.47
Rot. Bonds15

About 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol

5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol (PubChem CID 106130441) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
PubChem CID106130441
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
SMILESCCCCCCCCOCC(O)CNCCCC(C)O
InChIInChI=1S/C16H35NO3/c1-3-4-5-6-7-8-12-20-14-16(19)13-17-11-9-10-15(2)18/h15-19H,3-14H2,1-2H3
InChIKeyAHEXSIIGYTYCHJ-UHFFFAOYSA-N
XLogP2.47
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.47
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

(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-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
CID 60635450
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate
CID 19694614
1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
CID 89205374
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol (CID 106130441) is 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol is CCCCCCCCOCC(O)CNCCCC(C)O.
What is the InChIKey of 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol?
The InChIKey is AHEXSIIGYTYCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-3-4-5-6-7-8-12-20-14-16(19)13-17-11-9-10-15(2)18/h15-19H,3-14H2,1-2H3.
What are the key properties of 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol?
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 2.47, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol is sourced from PubChem (CID 106130441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).