N,N'-dipyridin-4-yloctane-1,8-diamine

C18H26N4 — CID 23645210

IUPACN,N'-dipyridin-4-yloctane-1,8-diamine
SMILESc1cc(NCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C18H26N4/c1(3-5-11-21-17-7-13-19-14-8-17)2-4-6-12-22-18-9-15-20-16-10-18/h7-10,13-16H,1-6,11-12H2,(H,19,21)(H,20,22)
InChIKeyNGVKMOLIFGNTHM-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.34
Rot. Bonds11

About N,N'-dipyridin-4-yloctane-1,8-diamine

N,N'-dipyridin-4-yloctane-1,8-diamine (PubChem CID 23645210) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N,N'-dipyridin-4-yloctane-1,8-diamine.

Molecular Properties

Compound NameN,N'-dipyridin-4-yloctane-1,8-diamine
PubChem CID23645210
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN,N'-dipyridin-4-yloctane-1,8-diamine
SMILESc1cc(NCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C18H26N4/c1(3-5-11-21-17-7-13-19-14-8-17)2-4-6-12-22-18-9-15-20-16-10-18/h7-10,13-16H,1-6,11-12H2,(H,19,21)(H,20,22)
InChIKeyNGVKMOLIFGNTHM-UHFFFAOYSA-N
XLogP4.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N'-dipyridin-4-yloctane-1,8-diamine?
The IUPAC name of N,N'-dipyridin-4-yloctane-1,8-diamine (CID 23645210) is N,N'-dipyridin-4-yloctane-1,8-diamine.
What is the SMILES notation for N,N'-dipyridin-4-yloctane-1,8-diamine?
The canonical SMILES for N,N'-dipyridin-4-yloctane-1,8-diamine is c1cc(NCCCCCCCCNc2ccncc2)ccn1.
What is the InChIKey of N,N'-dipyridin-4-yloctane-1,8-diamine?
The InChIKey is NGVKMOLIFGNTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1(3-5-11-21-17-7-13-19-14-8-17)2-4-6-12-22-18-9-15-20-16-10-18/h7-10,13-16H,1-6,11-12H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-dipyridin-4-yloctane-1,8-diamine?
N,N'-dipyridin-4-yloctane-1,8-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.34, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipyridin-4-yloctane-1,8-diamine is sourced from PubChem (CID 23645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).