1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine

C24H43N5 — CID 22217665

IUPAC1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
SMILESCCCCC(CC)CNCC(NCC(CC)CCCC)n1nnc2ccccc21
InChIInChI=1S/C24H43N5/c1-5-9-13-20(7-3)17-25-19-24(26-18-21(8-4)14-10-6-2)29-23-16-12-11-15-22(23)27-28-29/h11-12,15-16,20-21,24-26H,5-10,13-14,17-19H2,1-4H3
InChIKeyOTLDCMCPQVBZAU-UHFFFAOYSA-N
MW401.64 g/mol
LogP5.54
Rot. Bonds16

About 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine

1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine (PubChem CID 22217665) has the molecular formula C24H43N5 and a molecular weight of 401.64 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
PubChem CID22217665
Molecular FormulaC24H43N5
Molecular Weight401.64 g/mol
Exact Mass401.35
IUPAC Name1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
SMILESCCCCC(CC)CNCC(NCC(CC)CCCC)n1nnc2ccccc21
InChIInChI=1S/C24H43N5/c1-5-9-13-20(7-3)17-25-19-24(26-18-21(8-4)14-10-6-2)29-23-16-12-11-15-22(23)27-28-29/h11-12,15-16,20-21,24-26H,5-10,13-14,17-19H2,1-4H3
InChIKeyOTLDCMCPQVBZAU-UHFFFAOYSA-N
XLogP5.54
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
N-[1-(benzotriazol-1-yl)butyl]aniline
CID 14661999
N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine
CID 62561970
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515
N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62448568
1-(1-pyridin-2-ylpentyl)benzotriazole
CID 3562053
4-(benzotriazol-1-yl)-N-propylpentan-1-amine
CID 62448554
7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
CID 57277872
1-(1-chlorododecyl)benzotriazole
CID 4561404
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine?
The IUPAC name of 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine (CID 22217665) is 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine is CCCCC(CC)CNCC(NCC(CC)CCCC)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine?
The InChIKey is OTLDCMCPQVBZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5/c1-5-9-13-20(7-3)17-25-19-24(26-18-21(8-4)14-10-6-2)29-23-16-12-11-15-22(23)27-28-29/h11-12,15-16,20-21,24-26H,5-10,13-14,17-19H2,1-4H3.
What are the key properties of 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine?
1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine has a molecular weight of 401.64 g/mol, XLogP of 5.54, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 22217665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).