7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine

C24H42N4 — CID 57277872

IUPAC7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
SMILESCCCCC(CC)CC(N)(CC(CC)CCCC)Cn1nnc2ccccc21
InChIInChI=1S/C24H42N4/c1-5-9-13-20(7-3)17-24(25,18-21(8-4)14-10-6-2)19-28-23-16-12-11-15-22(23)26-27-28/h11-12,15-16,20-21H,5-10,13-14,17-19,25H2,1-4H3
InChIKeyZLPCAEUJBUFCLP-UHFFFAOYSA-N
MW386.63 g/mol
LogP6.34
Rot. Bonds14

About 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine

7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine (PubChem CID 57277872) has the molecular formula C24H42N4 and a molecular weight of 386.63 g/mol. Its IUPAC name is 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine.

Molecular Properties

Compound Name7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
PubChem CID57277872
Molecular FormulaC24H42N4
Molecular Weight386.63 g/mol
Exact Mass386.34
IUPAC Name7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
SMILESCCCCC(CC)CC(N)(CC(CC)CCCC)Cn1nnc2ccccc21
InChIInChI=1S/C24H42N4/c1-5-9-13-20(7-3)17-24(25,18-21(8-4)14-10-6-2)19-28-23-16-12-11-15-22(23)26-27-28/h11-12,15-16,20-21H,5-10,13-14,17-19,25H2,1-4H3
InChIKeyZLPCAEUJBUFCLP-UHFFFAOYSA-N
XLogP6.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tridecylbenzotriazole
CID 21059042
1-(butylselanylmethyl)benzotriazole
CID 10635572
silver 1-octylbenzotriazole
CID 19818350
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
5,9-diethyl-7-(4-methylbenzotriazol-1-yl)tridecan-7-amine
CID 54144406
1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
CID 22217665
N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine
CID 66685713
1-(benzotriazol-1-yl)-2-methylbutan-2-ol
CID 15881476
3,5-diethylnonan-3-amine
CID 63408454
3-(benzotriazol-1-yl)-2-methylpropan-1-amine
CID 62448363
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119

Frequently Asked Questions

What is the IUPAC name of 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine?
The IUPAC name of 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine (CID 57277872) is 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine.
What is the SMILES notation for 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine?
The canonical SMILES for 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine is CCCCC(CC)CC(N)(CC(CC)CCCC)Cn1nnc2ccccc21.
What is the InChIKey of 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine?
The InChIKey is ZLPCAEUJBUFCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4/c1-5-9-13-20(7-3)17-24(25,18-21(8-4)14-10-6-2)19-28-23-16-12-11-15-22(23)26-27-28/h11-12,15-16,20-21H,5-10,13-14,17-19,25H2,1-4H3.
What are the key properties of 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine?
7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine has a molecular weight of 386.63 g/mol, XLogP of 6.34, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine is sourced from PubChem (CID 57277872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).