azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium

C19H20N3+ — CID 11058815

IUPACazulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium
SMILESCCCCn1ccc(=[N+]=Nc2ccc3cccccc2-3)cc1
InChIInChI=1S/C19H20N3/c1-2-3-13-22-14-11-17(12-15-22)20-21-19-10-9-16-7-5-4-6-8-18(16)19/h4-12,14-15H,2-3,13H2,1H3/q+1
InChIKeyWLFPEERZKVWSOY-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.29
Rot. Bonds4

About azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium

azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium (PubChem CID 11058815) has the molecular formula C19H20N3+ and a molecular weight of 290.39 g/mol. Its IUPAC name is azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium.

Molecular Properties

Compound Nameazulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium
PubChem CID11058815
Molecular FormulaC19H20N3+
Molecular Weight290.39 g/mol
Exact Mass290.17
IUPAC Nameazulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium
SMILESCCCCn1ccc(=[N+]=Nc2ccc3cccccc2-3)cc1
InChIInChI=1S/C19H20N3/c1-2-3-13-22-14-11-17(12-15-22)20-21-19-10-9-16-7-5-4-6-8-18(16)19/h4-12,14-15H,2-3,13H2,1H3/q+1
InChIKeyWLFPEERZKVWSOY-UHFFFAOYSA-N
XLogP4.29
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-ethyl-4-phenylpyrrole
CID 15420916
imino-(2-phenylphenyl)iminoazanium
CID 6334229
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
hexane;3-phenylbenzene-1,2-diamine
CID 175068745
1-phenyl-2-[4-(1-undecoxyethyl)phenyl]benzene
CID 139693626
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-octadecoxy-2-phenylbenzene
CID 70983974
1,1'-biphenyl;hexadecane
CID 173308514
3-butyl-1-phenylindolizine
CID 122395253
1-propylazulene
CID 10397225
N-(2-phenylphenyl)propan-1-imine
CID 70437330
gold;1-pentyl-2-phenylbenzene
CID 174945702

Frequently Asked Questions

What is the IUPAC name of azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium?
The IUPAC name of azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium (CID 11058815) is azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium.
What is the SMILES notation for azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium?
The canonical SMILES for azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium is CCCCn1ccc(=[N+]=Nc2ccc3cccccc2-3)cc1.
What is the InChIKey of azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium?
The InChIKey is WLFPEERZKVWSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N3/c1-2-3-13-22-14-11-17(12-15-22)20-21-19-10-9-16-7-5-4-6-8-18(16)19/h4-12,14-15H,2-3,13H2,1H3/q+1.
What are the key properties of azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium?
azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium has a molecular weight of 290.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azulen-1-ylimino-(1-butyl-4-pyridinylidene)azanium is sourced from PubChem (CID 11058815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).