bis[6-(diethylamino)hexyl] carbonate

C21H44N2O3 — CID 54452513

IUPACbis[6-(diethylamino)hexyl] carbonate
SMILESCCN(CC)CCCCCCOC(=O)OCCCCCCN(CC)CC
InChIInChI=1S/C21H44N2O3/c1-5-22(6-2)17-13-9-11-15-19-25-21(24)26-20-16-12-10-14-18-23(7-3)8-4/h5-20H2,1-4H3
InChIKeyWVXNKJHTVGTODK-UHFFFAOYSA-N
MW372.59 g/mol
LogP4.94
Rot. Bonds18

About bis[6-(diethylamino)hexyl] carbonate

bis[6-(diethylamino)hexyl] carbonate (PubChem CID 54452513) has the molecular formula C21H44N2O3 and a molecular weight of 372.59 g/mol. Its IUPAC name is bis[6-(diethylamino)hexyl] carbonate.

Molecular Properties

Compound Namebis[6-(diethylamino)hexyl] carbonate
PubChem CID54452513
Molecular FormulaC21H44N2O3
Molecular Weight372.59 g/mol
Exact Mass372.34
IUPAC Namebis[6-(diethylamino)hexyl] carbonate
SMILESCCN(CC)CCCCCCOC(=O)OCCCCCCN(CC)CC
InChIInChI=1S/C21H44N2O3/c1-5-22(6-2)17-13-9-11-15-19-25-21(24)26-20-16-12-10-14-18-23(7-3)8-4/h5-20H2,1-4H3
InChIKeyWVXNKJHTVGTODK-UHFFFAOYSA-N
XLogP4.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[6-(diethylamino)hexyl] carbonate;hydrate;dihydrochloride
CID 173301568
bis[3-(diethylamino)propyl] carbonate
CID 18944359
bis[4-(diethylamino)butyl] propanedioate
CID 156562858
6-[4-hydroxybutyl(6-undecoxycarbonyloxyhexyl)amino]hexyl undecyl carbonate
CID 167299130
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
5-[ethyl(6-nonoxycarbonyloxyhexyl)amino]pentyl 2-octyldodecanoate
CID 170383491
5-(diethylamino)pentyl (E)-but-2-enoate
CID 87067527
5-[3-[bis(5-decoxycarbonyloxypentyl)amino]propyl-(6-hydroxyhexyl)amino]pentyl decyl carbonate
CID 168999434
bis[2-(dihexylamino)ethyl] carbonate
CID 18944360
4-(diethylamino)butyl 3-oxobutanoate
CID 150051023
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
heptyl octyl carbonate
CID 21498015

Frequently Asked Questions

What is the IUPAC name of bis[6-(diethylamino)hexyl] carbonate?
The IUPAC name of bis[6-(diethylamino)hexyl] carbonate (CID 54452513) is bis[6-(diethylamino)hexyl] carbonate.
What is the SMILES notation for bis[6-(diethylamino)hexyl] carbonate?
The canonical SMILES for bis[6-(diethylamino)hexyl] carbonate is CCN(CC)CCCCCCOC(=O)OCCCCCCN(CC)CC.
What is the InChIKey of bis[6-(diethylamino)hexyl] carbonate?
The InChIKey is WVXNKJHTVGTODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O3/c1-5-22(6-2)17-13-9-11-15-19-25-21(24)26-20-16-12-10-14-18-23(7-3)8-4/h5-20H2,1-4H3.
What are the key properties of bis[6-(diethylamino)hexyl] carbonate?
bis[6-(diethylamino)hexyl] carbonate has a molecular weight of 372.59 g/mol, XLogP of 4.94, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-(diethylamino)hexyl] carbonate is sourced from PubChem (CID 54452513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).