[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine

C15H24N4 — CID 151249264

IUPAC[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine
SMILESCCCCC(CC)Cc1cccc2c1nnn2CN
InChIInChI=1S/C15H24N4/c1-3-5-7-12(4-2)10-13-8-6-9-14-15(13)17-18-19(14)11-16/h6,8-9,12H,3-5,7,10-11,16H2,1-2H3
InChIKeyNRYWYXFWXZHYAA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.11
Rot. Bonds7

About [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine

[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine (PubChem CID 151249264) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine
PubChem CID151249264
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine
SMILESCCCCC(CC)Cc1cccc2c1nnn2CN
InChIInChI=1S/C15H24N4/c1-3-5-7-12(4-2)10-13-8-6-9-14-15(13)17-18-19(14)11-16/h6,8-9,12H,3-5,7,10-11,16H2,1-2H3
InChIKeyNRYWYXFWXZHYAA-UHFFFAOYSA-N
XLogP3.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-ethylhexyl)-4-hexylbenzotriazol-1-yl]methanamine
CID 175078260
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
(3R)-N-[(2S)-2-ethylhexyl]-N-[(4-methylbenzotriazol-1-yl)methyl]octan-3-amine
CID 100913241
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine
CID 54144406
7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
CID 57277872
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
1,4-bis(2-ethylhexyl)-5-phenyltriazole
CID 175013598
2-(2-ethylhexyl)tellurophene
CID 175050846
2-(2-ethylhexyl)benzene-1,4-diamine
CID 151075320
(2S)-2-ethylhexan-1-amine
CID 6999997
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine?
The IUPAC name of [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine (CID 151249264) is [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine.
What is the SMILES notation for [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine?
The canonical SMILES for [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine is CCCCC(CC)Cc1cccc2c1nnn2CN.
What is the InChIKey of [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine?
The InChIKey is NRYWYXFWXZHYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-5-7-12(4-2)10-13-8-6-9-14-15(13)17-18-19(14)11-16/h6,8-9,12H,3-5,7,10-11,16H2,1-2H3.
What are the key properties of [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine?
[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexyl)benzotriazol-1-yl]methanamine is sourced from PubChem (CID 151249264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).