cyclohexyl-methyl-dipyridin-2-ylazanium

C17H22N3+ — CID 57021193

IUPACcyclohexyl-methyl-dipyridin-2-ylazanium
SMILESC[N+](c1ccccn1)(c1ccccn1)C1CCCCC1
InChIInChI=1S/C17H22N3/c1-20(15-9-3-2-4-10-15,16-11-5-7-13-18-16)17-12-6-8-14-19-17/h5-8,11-15H,2-4,9-10H2,1H3/q+1
InChIKeyJQPDYMSAXXAUAH-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.08
Rot. Bonds3

About cyclohexyl-methyl-dipyridin-2-ylazanium

cyclohexyl-methyl-dipyridin-2-ylazanium (PubChem CID 57021193) has the molecular formula C17H22N3+ and a molecular weight of 268.38 g/mol. Its IUPAC name is cyclohexyl-methyl-dipyridin-2-ylazanium.

Molecular Properties

Compound Namecyclohexyl-methyl-dipyridin-2-ylazanium
PubChem CID57021193
Molecular FormulaC17H22N3+
Molecular Weight268.38 g/mol
Exact Mass268.18
IUPAC Namecyclohexyl-methyl-dipyridin-2-ylazanium
SMILESC[N+](c1ccccn1)(c1ccccn1)C1CCCCC1
InChIInChI=1S/C17H22N3/c1-20(15-9-3-2-4-10-15,16-11-5-7-13-18-16)17-12-6-8-14-19-17/h5-8,11-15H,2-4,9-10H2,1H3/q+1
InChIKeyJQPDYMSAXXAUAH-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methyl-dipyridin-2-ylazanium?
The IUPAC name of cyclohexyl-methyl-dipyridin-2-ylazanium (CID 57021193) is cyclohexyl-methyl-dipyridin-2-ylazanium.
What is the SMILES notation for cyclohexyl-methyl-dipyridin-2-ylazanium?
The canonical SMILES for cyclohexyl-methyl-dipyridin-2-ylazanium is C[N+](c1ccccn1)(c1ccccn1)C1CCCCC1.
What is the InChIKey of cyclohexyl-methyl-dipyridin-2-ylazanium?
The InChIKey is JQPDYMSAXXAUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N3/c1-20(15-9-3-2-4-10-15,16-11-5-7-13-18-16)17-12-6-8-14-19-17/h5-8,11-15H,2-4,9-10H2,1H3/q+1.
What are the key properties of cyclohexyl-methyl-dipyridin-2-ylazanium?
cyclohexyl-methyl-dipyridin-2-ylazanium has a molecular weight of 268.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-dipyridin-2-ylazanium is sourced from PubChem (CID 57021193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).