4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol

C19H41NO4 — CID 20977890

IUPAC4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol
SMILESCCCCCCCCCCOCC(O)CC(C)N(CCO)CCO
InChIInChI=1S/C19H41NO4/c1-3-4-5-6-7-8-9-10-15-24-17-19(23)16-18(2)20(11-13-21)12-14-22/h18-19,21-23H,3-17H2,1-2H3
InChIKeyJZOCSAWLPWJKKD-UHFFFAOYSA-N
MW347.54 g/mol
LogP2.57
Rot. Bonds18

About 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol

4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol (PubChem CID 20977890) has the molecular formula C19H41NO4 and a molecular weight of 347.54 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol
PubChem CID20977890
Molecular FormulaC19H41NO4
Molecular Weight347.54 g/mol
Exact Mass347.30
IUPAC Name4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol
SMILESCCCCCCCCCCOCC(O)CC(C)N(CCO)CCO
InChIInChI=1S/C19H41NO4/c1-3-4-5-6-7-8-9-10-15-24-17-19(23)16-18(2)20(11-13-21)12-14-22/h18-19,21-23H,3-17H2,1-2H3
InChIKeyJZOCSAWLPWJKKD-UHFFFAOYSA-N
XLogP2.57
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
CID 19694651
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
(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
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
1-octadecoxyicosan-2-ol
CID 88758338

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol (CID 20977890) is 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol is CCCCCCCCCCOCC(O)CC(C)N(CCO)CCO.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol?
The InChIKey is JZOCSAWLPWJKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO4/c1-3-4-5-6-7-8-9-10-15-24-17-19(23)16-18(2)20(11-13-21)12-14-22/h18-19,21-23H,3-17H2,1-2H3.
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol?
4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol has a molecular weight of 347.54 g/mol, XLogP of 2.57, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol is sourced from PubChem (CID 20977890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).