5,6-dibutyl-2H-benzotriazol-4-amine

C14H22N4 — CID 174872373

IUPAC5,6-dibutyl-2H-benzotriazol-4-amine
SMILESCCCCc1cc2n[nH]nc2c(N)c1CCCC
InChIInChI=1S/C14H22N4/c1-3-5-7-10-9-12-14(17-18-16-12)13(15)11(10)8-6-4-2/h9H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyBSPZFYZMBNDNIG-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.23
Rot. Bonds6

About 5,6-dibutyl-2H-benzotriazol-4-amine

5,6-dibutyl-2H-benzotriazol-4-amine (PubChem CID 174872373) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5,6-dibutyl-2H-benzotriazol-4-amine.

Molecular Properties

Compound Name5,6-dibutyl-2H-benzotriazol-4-amine
PubChem CID174872373
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5,6-dibutyl-2H-benzotriazol-4-amine
SMILESCCCCc1cc2n[nH]nc2c(N)c1CCCC
InChIInChI=1S/C14H22N4/c1-3-5-7-10-9-12-14(17-18-16-12)13(15)11(10)8-6-4-2/h9H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyBSPZFYZMBNDNIG-UHFFFAOYSA-N
XLogP3.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-6-heptyl-2H-benzotriazol-5-amine
CID 69446645
5-(aminomethyl)-6-butyl-2H-benzotriazole-4-carboxylic acid
CID 175345630
4,5-dioctyl-2H-benzotriazole
CID 162019342
3,4-dibutylbenzene-1,2-diamine
CID 18764845
2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine
CID 162023137
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
4-(4-amino-2,3,5-tributylphenoxy)-2,3,6-tributylaniline
CID 150650015
3,4-dibutyl-1H-pyrrol-2-amine
CID 91421970
2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide
CID 174989924
1,2,3,4-tetrabutylbenzene
CID 11220391
2,3-dibutyl-9H-fluoren-1-amine
CID 151540812

Frequently Asked Questions

What is the IUPAC name of 5,6-dibutyl-2H-benzotriazol-4-amine?
The IUPAC name of 5,6-dibutyl-2H-benzotriazol-4-amine (CID 174872373) is 5,6-dibutyl-2H-benzotriazol-4-amine.
What is the SMILES notation for 5,6-dibutyl-2H-benzotriazol-4-amine?
The canonical SMILES for 5,6-dibutyl-2H-benzotriazol-4-amine is CCCCc1cc2n[nH]nc2c(N)c1CCCC.
What is the InChIKey of 5,6-dibutyl-2H-benzotriazol-4-amine?
The InChIKey is BSPZFYZMBNDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-5-7-10-9-12-14(17-18-16-12)13(15)11(10)8-6-4-2/h9H,3-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 5,6-dibutyl-2H-benzotriazol-4-amine?
5,6-dibutyl-2H-benzotriazol-4-amine has a molecular weight of 246.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutyl-2H-benzotriazol-4-amine is sourced from PubChem (CID 174872373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).