N-decylbenzotriazol-1-amine

C16H26N4 — CID 155532271

IUPACN-decylbenzotriazol-1-amine
SMILESCCCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C16H26N4/c1-2-3-4-5-6-7-8-11-14-17-20-16-13-10-9-12-15(16)18-19-20/h9-10,12-13,17H,2-8,11,14H2,1H3
InChIKeySTPXQIRDVXKCSC-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.12
Rot. Bonds10

About N-decylbenzotriazol-1-amine

N-decylbenzotriazol-1-amine (PubChem CID 155532271) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-decylbenzotriazol-1-amine.

Molecular Properties

Compound NameN-decylbenzotriazol-1-amine
PubChem CID155532271
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-decylbenzotriazol-1-amine
SMILESCCCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C16H26N4/c1-2-3-4-5-6-7-8-11-14-17-20-16-13-10-9-12-15(16)18-19-20/h9-10,12-13,17H,2-8,11,14H2,1H3
InChIKeySTPXQIRDVXKCSC-UHFFFAOYSA-N
XLogP4.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-decylbenzotriazol-1-amine?
The IUPAC name of N-decylbenzotriazol-1-amine (CID 155532271) is N-decylbenzotriazol-1-amine.
What is the SMILES notation for N-decylbenzotriazol-1-amine?
The canonical SMILES for N-decylbenzotriazol-1-amine is CCCCCCCCCCNn1nnc2ccccc21.
What is the InChIKey of N-decylbenzotriazol-1-amine?
The InChIKey is STPXQIRDVXKCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-3-4-5-6-7-8-11-14-17-20-16-13-10-9-12-15(16)18-19-20/h9-10,12-13,17H,2-8,11,14H2,1H3.
What are the key properties of N-decylbenzotriazol-1-amine?
N-decylbenzotriazol-1-amine has a molecular weight of 274.41 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylbenzotriazol-1-amine is sourced from PubChem (CID 155532271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).