6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate

C18H35NO5 — CID 170071479

IUPAC6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
SMILESO=COCCCCCCN(CCCCO)CCCCCCOC=O
InChIInChI=1S/C18H35NO5/c20-14-8-7-13-19(11-5-1-3-9-15-23-17-21)12-6-2-4-10-16-24-18-22/h17-18,20H,1-16H2
InChIKeyUCXRQBZSUWLPJO-UHFFFAOYSA-N
MW345.48 g/mol
LogP2.53
Rot. Bonds20

About 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate

6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate (PubChem CID 170071479) has the molecular formula C18H35NO5 and a molecular weight of 345.48 g/mol. Its IUPAC name is 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate.

Molecular Properties

Compound Name6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
PubChem CID170071479
Molecular FormulaC18H35NO5
Molecular Weight345.48 g/mol
Exact Mass345.25
IUPAC Name6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
SMILESO=COCCCCCCN(CCCCO)CCCCCCOC=O
InChIInChI=1S/C18H35NO5/c20-14-8-7-13-19(11-5-1-3-9-15-23-17-21)12-6-2-4-10-16-24-18-22/h17-18,20H,1-16H2
InChIKeyUCXRQBZSUWLPJO-UHFFFAOYSA-N
XLogP2.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate
CID 171808087
20-(diethylamino)icosyl formate
CID 87852007
16-(diethylamino)hexadecyl formate
CID 87852321
19-(diethylamino)nonadecyl formate
CID 87851471
12-(diethylamino)dodecyl formate
CID 87851573
nonyl 8-[7-formyloxyheptyl(2-hydroxyethyl)amino]octanoate
CID 146475396
13-[butyl(ethyl)amino]tridecyl formate
CID 87852279
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
2-(5-hydroxypentylamino)ethyl formate
CID 138728311
4-(dioctylamino)butan-1-ol;2-hexyldecyl formate;2-methyloctyl formate
CID 176691345
6-[4-hydroxybutyl(6-undecoxycarbonyloxyhexyl)amino]hexyl undecyl carbonate
CID 167299130
5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol
CID 145304941

Frequently Asked Questions

What is the IUPAC name of 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate?
The IUPAC name of 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate (CID 170071479) is 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate.
What is the SMILES notation for 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate?
The canonical SMILES for 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate is O=COCCCCCCN(CCCCO)CCCCCCOC=O.
What is the InChIKey of 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate?
The InChIKey is UCXRQBZSUWLPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO5/c20-14-8-7-13-19(11-5-1-3-9-15-23-17-21)12-6-2-4-10-16-24-18-22/h17-18,20H,1-16H2.
What are the key properties of 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate?
6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate has a molecular weight of 345.48 g/mol, XLogP of 2.53, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate is sourced from PubChem (CID 170071479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).