N-octylbenzotriazol-1-amine

C14H22N4 — CID 155519084

IUPACN-octylbenzotriazol-1-amine
SMILESCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C14H22N4/c1-2-3-4-5-6-9-12-15-18-14-11-8-7-10-13(14)16-17-18/h7-8,10-11,15H,2-6,9,12H2,1H3
InChIKeyDVHHRZCSNYWWFV-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.34
Rot. Bonds8

About N-octylbenzotriazol-1-amine

N-octylbenzotriazol-1-amine (PubChem CID 155519084) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-octylbenzotriazol-1-amine.

Molecular Properties

Compound NameN-octylbenzotriazol-1-amine
PubChem CID155519084
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-octylbenzotriazol-1-amine
SMILESCCCCCCCCNn1nnc2ccccc21
InChIInChI=1S/C14H22N4/c1-2-3-4-5-6-9-12-15-18-14-11-8-7-10-13(14)16-17-18/h7-8,10-11,15H,2-6,9,12H2,1H3
InChIKeyDVHHRZCSNYWWFV-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.34
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-octylbenzotriazol-1-amine?
The IUPAC name of N-octylbenzotriazol-1-amine (CID 155519084) is N-octylbenzotriazol-1-amine.
What is the SMILES notation for N-octylbenzotriazol-1-amine?
The canonical SMILES for N-octylbenzotriazol-1-amine is CCCCCCCCNn1nnc2ccccc21.
What is the InChIKey of N-octylbenzotriazol-1-amine?
The InChIKey is DVHHRZCSNYWWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-3-4-5-6-9-12-15-18-14-11-8-7-10-13(14)16-17-18/h7-8,10-11,15H,2-6,9,12H2,1H3.
What are the key properties of N-octylbenzotriazol-1-amine?
N-octylbenzotriazol-1-amine has a molecular weight of 246.36 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylbenzotriazol-1-amine is sourced from PubChem (CID 155519084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).