4-decyl-2H-triazepine

C14H25N3 — CID 174737481

IUPAC4-decyl-2H-triazepine
SMILESCCCCCCCCCCC1=NNN=CC=C1
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-17-16-14/h10,12-13,17H,2-9,11H2,1H3
InChIKeyJKEYESTXZSSNBN-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.02
Rot. Bonds9

About 4-decyl-2H-triazepine

4-decyl-2H-triazepine (PubChem CID 174737481) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-decyl-2H-triazepine.

Molecular Properties

Compound Name4-decyl-2H-triazepine
PubChem CID174737481
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-decyl-2H-triazepine
SMILESCCCCCCCCCCC1=NNN=CC=C1
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-17-16-14/h10,12-13,17H,2-9,11H2,1H3
InChIKeyJKEYESTXZSSNBN-UHFFFAOYSA-N
XLogP4.02
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-nonyl-2H-pyrrole
CID 67015272
3,4-dihexyl-1,1-dimethylsilole
CID 14960758
4,5-dihexyl-3,6-dimethylpyridazine
CID 58250570
1-tridecylcyclopropene
CID 22621692
1-dodecylcyclopropene
CID 22621656
4-undecylimidazol-2-one
CID 154200859
3,4-dihexyl-1H-pyrrole
CID 67204335
3,4-didecylthiophene
CID 21200004
4,5-dihexyl-1H-pyrazole;hydrobromide
CID 174859356
1-octadecyl-2H-triazine
CID 139947935
3-octadecyl-1H-pyrrole
CID 14890918
5-bromo-2-hexylpyrimidine
CID 122446219

Frequently Asked Questions

What is the IUPAC name of 4-decyl-2H-triazepine?
The IUPAC name of 4-decyl-2H-triazepine (CID 174737481) is 4-decyl-2H-triazepine.
What is the SMILES notation for 4-decyl-2H-triazepine?
The canonical SMILES for 4-decyl-2H-triazepine is CCCCCCCCCCC1=NNN=CC=C1.
What is the InChIKey of 4-decyl-2H-triazepine?
The InChIKey is JKEYESTXZSSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15-17-16-14/h10,12-13,17H,2-9,11H2,1H3.
What are the key properties of 4-decyl-2H-triazepine?
4-decyl-2H-triazepine has a molecular weight of 235.37 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-2H-triazepine is sourced from PubChem (CID 174737481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).