N,N'-dipyridin-4-ylnonane-1,9-diamine

C19H28N4 — CID 23645212

IUPACN,N'-dipyridin-4-ylnonane-1,9-diamine
SMILESc1cc(NCCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C19H28N4/c1(2-4-6-12-22-18-8-14-20-15-9-18)3-5-7-13-23-19-10-16-21-17-11-19/h8-11,14-17H,1-7,12-13H2,(H,20,22)(H,21,23)
InChIKeyLINLRTMCHWNVKL-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.73
Rot. Bonds12

About N,N'-dipyridin-4-ylnonane-1,9-diamine

N,N'-dipyridin-4-ylnonane-1,9-diamine (PubChem CID 23645212) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N,N'-dipyridin-4-ylnonane-1,9-diamine.

Molecular Properties

Compound NameN,N'-dipyridin-4-ylnonane-1,9-diamine
PubChem CID23645212
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN,N'-dipyridin-4-ylnonane-1,9-diamine
SMILESc1cc(NCCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C19H28N4/c1(2-4-6-12-22-18-8-14-20-15-9-18)3-5-7-13-23-19-10-16-21-17-11-19/h8-11,14-17H,1-7,12-13H2,(H,20,22)(H,21,23)
InChIKeyLINLRTMCHWNVKL-UHFFFAOYSA-N
XLogP4.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-dipyridin-4-ylnonane-1,9-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-dipyridin-4-ylnonane-1,9-diamine?
The IUPAC name of N,N'-dipyridin-4-ylnonane-1,9-diamine (CID 23645212) is N,N'-dipyridin-4-ylnonane-1,9-diamine.
What is the SMILES notation for N,N'-dipyridin-4-ylnonane-1,9-diamine?
The canonical SMILES for N,N'-dipyridin-4-ylnonane-1,9-diamine is c1cc(NCCCCCCCCCNc2ccncc2)ccn1.
What is the InChIKey of N,N'-dipyridin-4-ylnonane-1,9-diamine?
The InChIKey is LINLRTMCHWNVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1(2-4-6-12-22-18-8-14-20-15-9-18)3-5-7-13-23-19-10-16-21-17-11-19/h8-11,14-17H,1-7,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-dipyridin-4-ylnonane-1,9-diamine?
N,N'-dipyridin-4-ylnonane-1,9-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipyridin-4-ylnonane-1,9-diamine is sourced from PubChem (CID 23645212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).