N-docosyl-N',N'-diethylethane-1,2-diamine

C28H60N2 — CID 154021468

IUPACN-docosyl-N',N'-diethylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCNCCN(CC)CC
InChIInChI=1S/C28H60N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(5-2)6-3/h29H,4-28H2,1-3H3
InChIKeyRNBZTQASYVTMSE-UHFFFAOYSA-N
MW424.80 g/mol
LogP8.74
Rot. Bonds26

About N-docosyl-N',N'-diethylethane-1,2-diamine

N-docosyl-N',N'-diethylethane-1,2-diamine (PubChem CID 154021468) has the molecular formula C28H60N2 and a molecular weight of 424.80 g/mol. Its IUPAC name is N-docosyl-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-docosyl-N',N'-diethylethane-1,2-diamine
PubChem CID154021468
Molecular FormulaC28H60N2
Molecular Weight424.80 g/mol
Exact Mass424.48
IUPAC NameN-docosyl-N',N'-diethylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCNCCN(CC)CC
InChIInChI=1S/C28H60N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(5-2)6-3/h29H,4-28H2,1-3H3
InChIKeyRNBZTQASYVTMSE-UHFFFAOYSA-N
XLogP8.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.80
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N',N'-diethyl-N-octadec-9-enylethane-1,2-diamine;phosphoric acid
CID 173455430
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375

Frequently Asked Questions

What is the IUPAC name of N-docosyl-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-docosyl-N',N'-diethylethane-1,2-diamine (CID 154021468) is N-docosyl-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-docosyl-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-docosyl-N',N'-diethylethane-1,2-diamine is CCCCCCCCCCCCCCCCCCCCCCNCCN(CC)CC.
What is the InChIKey of N-docosyl-N',N'-diethylethane-1,2-diamine?
The InChIKey is RNBZTQASYVTMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(5-2)6-3/h29H,4-28H2,1-3H3.
What are the key properties of N-docosyl-N',N'-diethylethane-1,2-diamine?
N-docosyl-N',N'-diethylethane-1,2-diamine has a molecular weight of 424.80 g/mol, XLogP of 8.74, 26 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-docosyl-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 154021468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).