N,1-dihexylpyridin-4-imine;hydrobromide

C17H31BrN2 — CID 14576923

IUPACN,1-dihexylpyridin-4-imine;hydrobromide
SMILESBr.CCCCCCN=c1ccn(CCCCCC)cc1
InChIInChI=1S/C17H30N2.BrH/c1-3-5-7-9-13-18-17-11-15-19(16-12-17)14-10-8-6-4-2;/h11-12,15-16H,3-10,13-14H2,1-2H3;1H
InChIKeyOYBQAXYPEYNRMB-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.13
Rot. Bonds10

About N,1-dihexylpyridin-4-imine;hydrobromide

N,1-dihexylpyridin-4-imine;hydrobromide (PubChem CID 14576923) has the molecular formula C17H31BrN2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N,1-dihexylpyridin-4-imine;hydrobromide.

Molecular Properties

Compound NameN,1-dihexylpyridin-4-imine;hydrobromide
PubChem CID14576923
Molecular FormulaC17H31BrN2
Molecular Weight343.35 g/mol
Exact Mass342.17
IUPAC NameN,1-dihexylpyridin-4-imine;hydrobromide
SMILESBr.CCCCCCN=c1ccn(CCCCCC)cc1
InChIInChI=1S/C17H30N2.BrH/c1-3-5-7-9-13-18-17-11-15-19(16-12-17)14-10-8-6-4-2;/h11-12,15-16H,3-10,13-14H2,1-2H3;1H
InChIKeyOYBQAXYPEYNRMB-UHFFFAOYSA-N
XLogP5.13
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dihexylpyridin-4-imine;hydrobromide?
The IUPAC name of N,1-dihexylpyridin-4-imine;hydrobromide (CID 14576923) is N,1-dihexylpyridin-4-imine;hydrobromide.
What is the SMILES notation for N,1-dihexylpyridin-4-imine;hydrobromide?
The canonical SMILES for N,1-dihexylpyridin-4-imine;hydrobromide is Br.CCCCCCN=c1ccn(CCCCCC)cc1.
What is the InChIKey of N,1-dihexylpyridin-4-imine;hydrobromide?
The InChIKey is OYBQAXYPEYNRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2.BrH/c1-3-5-7-9-13-18-17-11-15-19(16-12-17)14-10-8-6-4-2;/h11-12,15-16H,3-10,13-14H2,1-2H3;1H.
What are the key properties of N,1-dihexylpyridin-4-imine;hydrobromide?
N,1-dihexylpyridin-4-imine;hydrobromide has a molecular weight of 343.35 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dihexylpyridin-4-imine;hydrobromide is sourced from PubChem (CID 14576923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).