2-(1-decylaziridin-2-yl)benzotriazole

C18H28N4 — CID 10566166

IUPAC2-(1-decylaziridin-2-yl)benzotriazole
SMILESCCCCCCCCCCN1CC1n1nc2ccccc2n1
InChIInChI=1S/C18H28N4/c1-2-3-4-5-6-7-8-11-14-21-15-18(21)22-19-16-12-9-10-13-17(16)20-22/h9-10,12-13,18H,2-8,11,14-15H2,1H3
InChIKeyULHIFOAHVZZORX-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.39
Rot. Bonds10

About 2-(1-decylaziridin-2-yl)benzotriazole

2-(1-decylaziridin-2-yl)benzotriazole (PubChem CID 10566166) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(1-decylaziridin-2-yl)benzotriazole.

Molecular Properties

Compound Name2-(1-decylaziridin-2-yl)benzotriazole
PubChem CID10566166
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-(1-decylaziridin-2-yl)benzotriazole
SMILESCCCCCCCCCCN1CC1n1nc2ccccc2n1
InChIInChI=1S/C18H28N4/c1-2-3-4-5-6-7-8-11-14-21-15-18(21)22-19-16-12-9-10-13-17(16)20-22/h9-10,12-13,18H,2-8,11,14-15H2,1H3
InChIKeyULHIFOAHVZZORX-UHFFFAOYSA-N
XLogP4.39
TPSA33.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-octylaziridine
CID 102467094
1-tridecylbenzotriazole
CID 21059042
silver 1-octylbenzotriazole
CID 19818350
2-decan-5-ylbenzotriazole
CID 10264563
1-heptyl-2-methylaziridine
CID 142378837
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
4-(1,3-dioctylimidazolidin-2-yl)phenol
CID 56688225
6-(benzotriazol-2-yl)-1,4-dioctylcyclohexa-2,4-dien-1-ol
CID 175818096
acetic acid;1-octylbenzotriazole
CID 175150004
1-decyl-3-methyl-2H-imidazole;quinoline
CID 174548423
1-hexyl-3-methyl-2H-imidazole;quinoline
CID 159990969

Frequently Asked Questions

What is the IUPAC name of 2-(1-decylaziridin-2-yl)benzotriazole?
The IUPAC name of 2-(1-decylaziridin-2-yl)benzotriazole (CID 10566166) is 2-(1-decylaziridin-2-yl)benzotriazole.
What is the SMILES notation for 2-(1-decylaziridin-2-yl)benzotriazole?
The canonical SMILES for 2-(1-decylaziridin-2-yl)benzotriazole is CCCCCCCCCCN1CC1n1nc2ccccc2n1.
What is the InChIKey of 2-(1-decylaziridin-2-yl)benzotriazole?
The InChIKey is ULHIFOAHVZZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-3-4-5-6-7-8-11-14-21-15-18(21)22-19-16-12-9-10-13-17(16)20-22/h9-10,12-13,18H,2-8,11,14-15H2,1H3.
What are the key properties of 2-(1-decylaziridin-2-yl)benzotriazole?
2-(1-decylaziridin-2-yl)benzotriazole has a molecular weight of 300.45 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-decylaziridin-2-yl)benzotriazole is sourced from PubChem (CID 10566166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).