N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide

C27H46Br2N4 — CID 13408457

IUPACN-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.CCCCCCN=c1ccn(CCCCCn2ccc(=NCCCCCC)cc2)cc1
InChIInChI=1S/C27H44N4.2BrH/c1-3-5-7-10-18-28-26-14-22-30(23-15-26)20-12-9-13-21-31-24-16-27(17-25-31)29-19-11-8-6-4-2;;/h14-17,22-25H,3-13,18-21H2,1-2H3;2*1H
InChIKeyNDJUXKXCZGCBFU-UHFFFAOYSA-N
MW586.50 g/mol
LogP7.28
Rot. Bonds16

About N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide

N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide (PubChem CID 13408457) has the molecular formula C27H46Br2N4 and a molecular weight of 586.50 g/mol. Its IUPAC name is N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide.

Molecular Properties

Compound NameN-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide
PubChem CID13408457
Molecular FormulaC27H46Br2N4
Molecular Weight586.50 g/mol
Exact Mass584.21
IUPAC NameN-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.CCCCCCN=c1ccn(CCCCCn2ccc(=NCCCCCC)cc2)cc1
InChIInChI=1S/C27H44N4.2BrH/c1-3-5-7-10-18-28-26-14-22-30(23-15-26)20-12-9-13-21-31-24-16-27(17-25-31)29-19-11-8-6-4-2;;/h14-17,22-25H,3-13,18-21H2,1-2H3;2*1H
InChIKeyNDJUXKXCZGCBFU-UHFFFAOYSA-N
XLogP7.28
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.50
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octenidine Hydrochloride
CID 51166
Octenidine
CID 51167
Pirtenidine Hydrochloride
CID 151111
1-[10-(4-Imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide
CID 13408451
N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine
CID 65879
1-[12-(4-Imino-1-pyridinyl)dodecyl]pyridin-4-imine;dihydrobromide
CID 13408453
N-hexyl-1-octylpyridin-4-imine;hydrochloride
CID 14198624
N-hexyl-1-nonylpyridin-4-imine;hydrochloride
CID 14198626
1-[6-(4-Imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
CID 13408445
1-[8-(4-Imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide
CID 13408447
1-[9-(4-Imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide
CID 13408449
N-hexyl-1-[4-(4-hexylimino-1-pyridinyl)butyl]pyridin-4-imine;dihydrobromide
CID 13408455

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide?
The IUPAC name of N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide (CID 13408457) is N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide.
What is the SMILES notation for N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide?
The canonical SMILES for N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide is Br.Br.CCCCCCN=c1ccn(CCCCCn2ccc(=NCCCCCC)cc2)cc1.
What is the InChIKey of N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide?
The InChIKey is NDJUXKXCZGCBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4.2BrH/c1-3-5-7-10-18-28-26-14-22-30(23-15-26)20-12-9-13-21-31-24-16-27(17-25-31)29-19-11-8-6-4-2;;/h14-17,22-25H,3-13,18-21H2,1-2H3;2*1H.
What are the key properties of N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide?
N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide has a molecular weight of 586.50 g/mol, XLogP of 7.28, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide is sourced from PubChem (CID 13408457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).