5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine

C24H42N4 — CID 54144406

IUPAC5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine
SMILESCCCCC(CC)CC(N)(CC(CC)CCCC)n1nnc2c(C)cccc21
InChIInChI=1S/C24H42N4/c1-6-10-14-20(8-3)17-24(25,18-21(9-4)15-11-7-2)28-22-16-12-13-19(5)23(22)26-27-28/h12-13,16,20-21H,6-11,14-15,17-18,25H2,1-5H3
InChIKeyODIRCEMRICGASB-UHFFFAOYSA-N
MW386.63 g/mol
LogP6.56
Rot. Bonds13

About 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine

5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine (PubChem CID 54144406) has the molecular formula C24H42N4 and a molecular weight of 386.63 g/mol. Its IUPAC name is 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine.

Molecular Properties

Compound Name5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine
PubChem CID54144406
Molecular FormulaC24H42N4
Molecular Weight386.63 g/mol
Exact Mass386.34
IUPAC Name5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine
SMILESCCCCC(CC)CC(N)(CC(CC)CCCC)n1nnc2c(C)cccc21
InChIInChI=1S/C24H42N4/c1-6-10-14-20(8-3)17-24(25,18-21(9-4)15-11-7-2)28-22-16-12-13-19(5)23(22)26-27-28/h12-13,16,20-21H,6-11,14-15,17-18,25H2,1-5H3
InChIKeyODIRCEMRICGASB-UHFFFAOYSA-N
XLogP6.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-methylbenzotriazole
CID 21069623
(3R)-N-[(2S)-2-ethylhexyl]-N-[(4-methylbenzotriazol-1-yl)methyl]octan-3-amine
CID 100913241
4-ethyl-2-(2-methylphenyl)octan-2-amine
CID 63408267
7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
CID 57277872
[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine
CID 151249264
2-heptan-3-yl-1,4-dimethylbenzimidazole
CID 22734816
1-ethyl-4-methylbenzotriazole
CID 121401272
1-[1-chloro-2-(chloromethyl)-4-ethyloctan-2-yl]-2-methylbenzene
CID 79453391
4-butyl-1-(5-ethenylnonan-5-yl)benzotriazole
CID 5197930
ethyl 4-methylbenzotriazole-1-carboxylate
CID 67917152
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773

Frequently Asked Questions

What is the IUPAC name of 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine?
The IUPAC name of 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine (CID 54144406) is 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine.
What is the SMILES notation for 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine?
The canonical SMILES for 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine is CCCCC(CC)CC(N)(CC(CC)CCCC)n1nnc2c(C)cccc21.
What is the InChIKey of 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine?
The InChIKey is ODIRCEMRICGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4/c1-6-10-14-20(8-3)17-24(25,18-21(9-4)15-11-7-2)28-22-16-12-13-19(5)23(22)26-27-28/h12-13,16,20-21H,6-11,14-15,17-18,25H2,1-5H3.
What are the key properties of 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine?
5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine has a molecular weight of 386.63 g/mol, XLogP of 6.56, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine is sourced from PubChem (CID 54144406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).