2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine

C24H42N4 — CID 162023137

IUPAC2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine
SMILESCCCCC(CC)Cc1cc2n[nH]nc2c(CCN)c1CC(CC)CCCC
InChIInChI=1S/C24H42N4/c1-5-9-11-18(7-3)15-20-17-23-24(27-28-26-23)21(13-14-25)22(20)16-19(8-4)12-10-6-2/h17-19H,5-16,25H2,1-4H3,(H,26,27,28)
InChIKeyYUZWYSJVXOQGIH-UHFFFAOYSA-N
MW386.63 g/mol
LogP5.98
Rot. Bonds14

About 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine

2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine (PubChem CID 162023137) has the molecular formula C24H42N4 and a molecular weight of 386.63 g/mol. Its IUPAC name is 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine
PubChem CID162023137
Molecular FormulaC24H42N4
Molecular Weight386.63 g/mol
Exact Mass386.34
IUPAC Name2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine
SMILESCCCCC(CC)Cc1cc2n[nH]nc2c(CCN)c1CC(CC)CCCC
InChIInChI=1S/C24H42N4/c1-5-9-11-18(7-3)15-20-17-23-24(27-28-26-23)21(13-14-25)22(20)16-19(8-4)12-10-6-2/h17-19H,5-16,25H2,1-4H3,(H,26,27,28)
InChIKeyYUZWYSJVXOQGIH-UHFFFAOYSA-N
XLogP5.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dibutyl-2H-benzotriazol-4-amine
CID 174872373
4-ethyl-6-heptyl-2H-benzotriazol-5-amine
CID 69446645
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
2-(2-ethylhexyl)benzene-1,4-diamine
CID 151075320
5-(aminomethyl)-6-butyl-2H-benzotriazole-4-carboxylic acid
CID 175345630
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
(2S)-2-ethylhexan-1-amine
CID 6999997
4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol
CID 123669477
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
[5-(2-ethylhexyl)-4-hexylbenzotriazol-1-yl]methanamine
CID 175078260
2-ethylhexan-1-amine;hydrate
CID 173045208

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine?
The IUPAC name of 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine (CID 162023137) is 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine?
The canonical SMILES for 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine is CCCCC(CC)Cc1cc2n[nH]nc2c(CCN)c1CC(CC)CCCC.
What is the InChIKey of 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine?
The InChIKey is YUZWYSJVXOQGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4/c1-5-9-11-18(7-3)15-20-17-23-24(27-28-26-23)21(13-14-25)22(20)16-19(8-4)12-10-6-2/h17-19H,5-16,25H2,1-4H3,(H,26,27,28).
What are the key properties of 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine?
2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine has a molecular weight of 386.63 g/mol, XLogP of 5.98, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine is sourced from PubChem (CID 162023137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).