bis[2-(dihexylamino)ethyl] carbonate

C29H60N2O3 — CID 18944360

IUPACbis[2-(dihexylamino)ethyl] carbonate
SMILESCCCCCCN(CCCCCC)CCOC(=O)OCCN(CCCCCC)CCCCCC
InChIInChI=1S/C29H60N2O3/c1-5-9-13-17-21-30(22-18-14-10-6-2)25-27-33-29(32)34-28-26-31(23-19-15-11-7-3)24-20-16-12-8-4/h5-28H2,1-4H3
InChIKeySLFWNYUCZGJFHD-UHFFFAOYSA-N
MW484.81 g/mol
LogP8.06
Rot. Bonds26

About bis[2-(dihexylamino)ethyl] carbonate

bis[2-(dihexylamino)ethyl] carbonate (PubChem CID 18944360) has the molecular formula C29H60N2O3 and a molecular weight of 484.81 g/mol. Its IUPAC name is bis[2-(dihexylamino)ethyl] carbonate.

Molecular Properties

Compound Namebis[2-(dihexylamino)ethyl] carbonate
PubChem CID18944360
Molecular FormulaC29H60N2O3
Molecular Weight484.81 g/mol
Exact Mass484.46
IUPAC Namebis[2-(dihexylamino)ethyl] carbonate
SMILESCCCCCCN(CCCCCC)CCOC(=O)OCCN(CCCCCC)CCCCCC
InChIInChI=1S/C29H60N2O3/c1-5-9-13-17-21-30(22-18-14-10-6-2)25-27-33-29(32)34-28-26-31(23-19-15-11-7-3)24-20-16-12-8-4/h5-28H2,1-4H3
InChIKeySLFWNYUCZGJFHD-UHFFFAOYSA-N
XLogP8.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 58.06
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

6-[4-hydroxybutyl(6-undecoxycarbonyloxyhexyl)amino]hexyl undecyl carbonate
CID 167299130
5-[3-[bis(5-decoxycarbonyloxypentyl)amino]propyl-(6-hydroxyhexyl)amino]pentyl decyl carbonate
CID 168999434
2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl tetradecanoate
CID 137363747
2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate
CID 138394684
2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
2-(dimethylamino)ethyl hexadecyl carbonate
CID 71418420
dioctyl carbonate
CID 174882674
heptyl octyl carbonate
CID 21498015
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
bis[6-(diethylamino)hexyl] carbonate
CID 54452513

Frequently Asked Questions

What is the IUPAC name of bis[2-(dihexylamino)ethyl] carbonate?
The IUPAC name of bis[2-(dihexylamino)ethyl] carbonate (CID 18944360) is bis[2-(dihexylamino)ethyl] carbonate.
What is the SMILES notation for bis[2-(dihexylamino)ethyl] carbonate?
The canonical SMILES for bis[2-(dihexylamino)ethyl] carbonate is CCCCCCN(CCCCCC)CCOC(=O)OCCN(CCCCCC)CCCCCC.
What is the InChIKey of bis[2-(dihexylamino)ethyl] carbonate?
The InChIKey is SLFWNYUCZGJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60N2O3/c1-5-9-13-17-21-30(22-18-14-10-6-2)25-27-33-29(32)34-28-26-31(23-19-15-11-7-3)24-20-16-12-8-4/h5-28H2,1-4H3.
What are the key properties of bis[2-(dihexylamino)ethyl] carbonate?
bis[2-(dihexylamino)ethyl] carbonate has a molecular weight of 484.81 g/mol, XLogP of 8.06, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dihexylamino)ethyl] carbonate is sourced from PubChem (CID 18944360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).