4-ethyl-6-heptyl-2H-benzotriazol-5-amine

C15H24N4 — CID 69446645

IUPAC4-ethyl-6-heptyl-2H-benzotriazol-5-amine
SMILESCCCCCCCc1cc2n[nH]nc2c(CC)c1N
InChIInChI=1S/C15H24N4/c1-3-5-6-7-8-9-11-10-13-15(18-19-17-13)12(4-2)14(11)16/h10H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyBGYQEHUWWCIZKC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.62
Rot. Bonds7

About 4-ethyl-6-heptyl-2H-benzotriazol-5-amine

4-ethyl-6-heptyl-2H-benzotriazol-5-amine (PubChem CID 69446645) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-ethyl-6-heptyl-2H-benzotriazol-5-amine.

Molecular Properties

Compound Name4-ethyl-6-heptyl-2H-benzotriazol-5-amine
PubChem CID69446645
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-ethyl-6-heptyl-2H-benzotriazol-5-amine
SMILESCCCCCCCc1cc2n[nH]nc2c(CC)c1N
InChIInChI=1S/C15H24N4/c1-3-5-6-7-8-9-11-10-13-15(18-19-17-13)12(4-2)14(11)16/h10H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyBGYQEHUWWCIZKC-UHFFFAOYSA-N
XLogP3.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dibutyl-2H-benzotriazol-4-amine
CID 174872373
4,5-dioctyl-2H-benzotriazole
CID 162019342
5-(aminomethyl)-6-butyl-2H-benzotriazole-4-carboxylic acid
CID 175345630
2-[5,6-bis(2-ethylhexyl)-2H-benzotriazol-4-yl]ethanamine
CID 162023137
3,4-dihexyl-1H-pyrrole
CID 67204335
4-(4-amino-3,5-dihexylphenyl)sulfanyloxysulfanyl-2,6-dihexylaniline
CID 18450517
2-(2H-benzotriazol-4-yl)-6-hexadecyl-4-methylphenol
CID 141058122
2,3,7,8,12,13,18-heptaethyl-17-heptyl-21,22-dihydroporphyrin
CID 153425392
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
2-butyl-6-octylaniline
CID 154074002
2-undecylnaphthalene-1,4-diamine
CID 151031394
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-heptyl-2H-benzotriazol-5-amine?
The IUPAC name of 4-ethyl-6-heptyl-2H-benzotriazol-5-amine (CID 69446645) is 4-ethyl-6-heptyl-2H-benzotriazol-5-amine.
What is the SMILES notation for 4-ethyl-6-heptyl-2H-benzotriazol-5-amine?
The canonical SMILES for 4-ethyl-6-heptyl-2H-benzotriazol-5-amine is CCCCCCCc1cc2n[nH]nc2c(CC)c1N.
What is the InChIKey of 4-ethyl-6-heptyl-2H-benzotriazol-5-amine?
The InChIKey is BGYQEHUWWCIZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-5-6-7-8-9-11-10-13-15(18-19-17-13)12(4-2)14(11)16/h10H,3-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-ethyl-6-heptyl-2H-benzotriazol-5-amine?
4-ethyl-6-heptyl-2H-benzotriazol-5-amine has a molecular weight of 260.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-heptyl-2H-benzotriazol-5-amine is sourced from PubChem (CID 69446645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).