tributyl-(3-pyridin-2-ylphenyl)azanium

C23H35N2+ — CID 59782074

IUPACtributyl-(3-pyridin-2-ylphenyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C23H35N2/c1-4-7-17-25(18-8-5-2,19-9-6-3)22-14-12-13-21(20-22)23-15-10-11-16-24-23/h10-16,20H,4-9,17-19H2,1-3H3/q+1
InChIKeyPNFVVRGNOTWHRV-UHFFFAOYSA-N
MW339.55 g/mol
LogP6.46
Rot. Bonds11

About tributyl-(3-pyridin-2-ylphenyl)azanium

tributyl-(3-pyridin-2-ylphenyl)azanium (PubChem CID 59782074) has the molecular formula C23H35N2+ and a molecular weight of 339.55 g/mol. Its IUPAC name is tributyl-(3-pyridin-2-ylphenyl)azanium.

Molecular Properties

Compound Nametributyl-(3-pyridin-2-ylphenyl)azanium
PubChem CID59782074
Molecular FormulaC23H35N2+
Molecular Weight339.55 g/mol
Exact Mass339.28
IUPAC Nametributyl-(3-pyridin-2-ylphenyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C23H35N2/c1-4-7-17-25(18-8-5-2,19-9-6-3)22-14-12-13-21(20-22)23-15-10-11-16-24-23/h10-16,20H,4-9,17-19H2,1-3H3/q+1
InChIKeyPNFVVRGNOTWHRV-UHFFFAOYSA-N
XLogP6.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.55
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
2-(3-octan-2-ylphenyl)pyridine
CID 76764597
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
CID 88529992
CID 88529992
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
3-pyridin-2-ylbenzoate
CID 7020368
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039

Frequently Asked Questions

What is the IUPAC name of tributyl-(3-pyridin-2-ylphenyl)azanium?
The IUPAC name of tributyl-(3-pyridin-2-ylphenyl)azanium (CID 59782074) is tributyl-(3-pyridin-2-ylphenyl)azanium.
What is the SMILES notation for tributyl-(3-pyridin-2-ylphenyl)azanium?
The canonical SMILES for tributyl-(3-pyridin-2-ylphenyl)azanium is CCCC[N+](CCCC)(CCCC)c1cccc(-c2ccccn2)c1.
What is the InChIKey of tributyl-(3-pyridin-2-ylphenyl)azanium?
The InChIKey is PNFVVRGNOTWHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N2/c1-4-7-17-25(18-8-5-2,19-9-6-3)22-14-12-13-21(20-22)23-15-10-11-16-24-23/h10-16,20H,4-9,17-19H2,1-3H3/q+1.
What are the key properties of tributyl-(3-pyridin-2-ylphenyl)azanium?
tributyl-(3-pyridin-2-ylphenyl)azanium has a molecular weight of 339.55 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-pyridin-2-ylphenyl)azanium is sourced from PubChem (CID 59782074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).