ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium

C15H27N5O — CID 151830008

IUPACethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium
SMILESC=C/[N+]([O-])=N/CCCCCCCCn1cc(C(C)C)nn1
InChIInChI=1S/C15H27N5O/c1-4-20(21)16-11-9-7-5-6-8-10-12-19-13-15(14(2)3)17-18-19/h4,13-14H,1,5-12H2,2-3H3/b20-16-
InChIKeySELFHLZCYPYFDG-SILNSSARSA-N
MW293.42 g/mol
LogP3.85
Rot. Bonds11

About ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium

ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium (PubChem CID 151830008) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium.

Molecular Properties

Compound Nameethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium
PubChem CID151830008
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Nameethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium
SMILESC=C/[N+]([O-])=N/CCCCCCCCn1cc(C(C)C)nn1
InChIInChI=1S/C15H27N5O/c1-4-20(21)16-11-9-7-5-6-8-10-12-19-13-15(14(2)3)17-18-19/h4,13-14H,1,5-12H2,2-3H3/b20-16-
InChIKeySELFHLZCYPYFDG-SILNSSARSA-N
XLogP3.85
TPSA69.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium?
The IUPAC name of ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium (CID 151830008) is ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium.
What is the SMILES notation for ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium?
The canonical SMILES for ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium is C=C/[N+]([O-])=N/CCCCCCCCn1cc(C(C)C)nn1.
What is the InChIKey of ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium?
The InChIKey is SELFHLZCYPYFDG-SILNSSARSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-20(21)16-11-9-7-5-6-8-10-12-19-13-15(14(2)3)17-18-19/h4,13-14H,1,5-12H2,2-3H3/b20-16-.
What are the key properties of ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium?
ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium has a molecular weight of 293.42 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium is sourced from PubChem (CID 151830008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).