4-(13,13,13-triethoxytridecylamino)butan-1-ol

C23H49NO4 — CID 151260398

IUPAC4-(13,13,13-triethoxytridecylamino)butan-1-ol
SMILESCCOC(CCCCCCCCCCCCNCCCCO)(OCC)OCC
InChIInChI=1S/C23H49NO4/c1-4-26-23(27-5-2,28-6-3)19-15-13-11-9-7-8-10-12-14-16-20-24-21-17-18-22-25/h24-25H,4-22H2,1-3H3
InChIKeyNUFOGPAKZQGMDW-UHFFFAOYSA-N
MW403.65 g/mol
LogP5.40
Rot. Bonds23

About 4-(13,13,13-triethoxytridecylamino)butan-1-ol

4-(13,13,13-triethoxytridecylamino)butan-1-ol (PubChem CID 151260398) has the molecular formula C23H49NO4 and a molecular weight of 403.65 g/mol. Its IUPAC name is 4-(13,13,13-triethoxytridecylamino)butan-1-ol.

Molecular Properties

Compound Name4-(13,13,13-triethoxytridecylamino)butan-1-ol
PubChem CID151260398
Molecular FormulaC23H49NO4
Molecular Weight403.65 g/mol
Exact Mass403.37
IUPAC Name4-(13,13,13-triethoxytridecylamino)butan-1-ol
SMILESCCOC(CCCCCCCCCCCCNCCCCO)(OCC)OCC
InChIInChI=1S/C23H49NO4/c1-4-26-23(27-5-2,28-6-3)19-15-13-11-9-7-8-10-12-14-16-20-24-21-17-18-22-25/h24-25H,4-22H2,1-3H3
InChIKeyNUFOGPAKZQGMDW-UHFFFAOYSA-N
XLogP5.40
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
4,4,4-triethoxybutan-1-ol;zirconium
CID 151616246
N-(3,3,3-triethoxypropyl)undecan-1-amine
CID 159840900
6-[(2-ethoxy-2-methylpropyl)amino]hexan-1-ol
CID 107703685
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
8-(undecylamino)octan-1-ol
CID 139305047
ruthenium;1,1,1-triethoxydecane
CID 157324278
prop-2-enoic acid;4,4,4-triethoxybutan-1-ol
CID 159483376
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
CID 156790678
CID 156790678
N,N'-bis(13,13,13-trimethoxytridecyl)ethane-1,2-diamine
CID 152542530
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165

Frequently Asked Questions

What is the IUPAC name of 4-(13,13,13-triethoxytridecylamino)butan-1-ol?
The IUPAC name of 4-(13,13,13-triethoxytridecylamino)butan-1-ol (CID 151260398) is 4-(13,13,13-triethoxytridecylamino)butan-1-ol.
What is the SMILES notation for 4-(13,13,13-triethoxytridecylamino)butan-1-ol?
The canonical SMILES for 4-(13,13,13-triethoxytridecylamino)butan-1-ol is CCOC(CCCCCCCCCCCCNCCCCO)(OCC)OCC.
What is the InChIKey of 4-(13,13,13-triethoxytridecylamino)butan-1-ol?
The InChIKey is NUFOGPAKZQGMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO4/c1-4-26-23(27-5-2,28-6-3)19-15-13-11-9-7-8-10-12-14-16-20-24-21-17-18-22-25/h24-25H,4-22H2,1-3H3.
What are the key properties of 4-(13,13,13-triethoxytridecylamino)butan-1-ol?
4-(13,13,13-triethoxytridecylamino)butan-1-ol has a molecular weight of 403.65 g/mol, XLogP of 5.40, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(13,13,13-triethoxytridecylamino)butan-1-ol is sourced from PubChem (CID 151260398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).