N,1-diheptylpyridin-4-imine;hydrobromide

C19H35BrN2 — CID 14198630

IUPACN,1-diheptylpyridin-4-imine;hydrobromide
SMILESBr.CCCCCCCN=c1ccn(CCCCCCC)cc1
InChIInChI=1S/C19H34N2.BrH/c1-3-5-7-9-11-15-20-19-13-17-21(18-14-19)16-12-10-8-6-4-2;/h13-14,17-18H,3-12,15-16H2,1-2H3;1H
InChIKeyVBFNZCMQJUHHBZ-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.91
Rot. Bonds12

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

N,1-diheptylpyridin-4-imine;hydrobromide (PubChem CID 14198630) has the molecular formula C19H35BrN2 and a molecular weight of 371.41 g/mol. Its IUPAC name is N,1-diheptylpyridin-4-imine;hydrobromide.

Molecular Properties

Compound NameN,1-diheptylpyridin-4-imine;hydrobromide
PubChem CID14198630
Molecular FormulaC19H35BrN2
Molecular Weight371.41 g/mol
Exact Mass370.20
IUPAC NameN,1-diheptylpyridin-4-imine;hydrobromide
SMILESBr.CCCCCCCN=c1ccn(CCCCCCC)cc1
InChIInChI=1S/C19H34N2.BrH/c1-3-5-7-9-11-15-20-19-13-17-21(18-14-19)16-12-10-8-6-4-2;/h13-14,17-18H,3-12,15-16H2,1-2H3;1H
InChIKeyVBFNZCMQJUHHBZ-UHFFFAOYSA-N
XLogP5.91
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.91
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-diheptylpyridin-4-imine;hydrobromide?
The IUPAC name of N,1-diheptylpyridin-4-imine;hydrobromide (CID 14198630) is N,1-diheptylpyridin-4-imine;hydrobromide.
What is the SMILES notation for N,1-diheptylpyridin-4-imine;hydrobromide?
The canonical SMILES for N,1-diheptylpyridin-4-imine;hydrobromide is Br.CCCCCCCN=c1ccn(CCCCCCC)cc1.
What is the InChIKey of N,1-diheptylpyridin-4-imine;hydrobromide?
The InChIKey is VBFNZCMQJUHHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2.BrH/c1-3-5-7-9-11-15-20-19-13-17-21(18-14-19)16-12-10-8-6-4-2;/h13-14,17-18H,3-12,15-16H2,1-2H3;1H.
What are the key properties of N,1-diheptylpyridin-4-imine;hydrobromide?
N,1-diheptylpyridin-4-imine;hydrobromide has a molecular weight of 371.41 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diheptylpyridin-4-imine;hydrobromide is sourced from PubChem (CID 14198630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).