N,N'-dipyridin-4-yldodecane-1,12-diamine

C22H34N4 — CID 23645216

IUPACN,N'-dipyridin-4-yldodecane-1,12-diamine
SMILESc1cc(NCCCCCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C22H34N4/c1(3-5-7-9-15-25-21-11-17-23-18-12-21)2-4-6-8-10-16-26-22-13-19-24-20-14-22/h11-14,17-20H,1-10,15-16H2,(H,23,25)(H,24,26)
InChIKeyREGVEKPXUMXNPU-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.90
Rot. Bonds15

About N,N'-dipyridin-4-yldodecane-1,12-diamine

N,N'-dipyridin-4-yldodecane-1,12-diamine (PubChem CID 23645216) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is N,N'-dipyridin-4-yldodecane-1,12-diamine.

Molecular Properties

Compound NameN,N'-dipyridin-4-yldodecane-1,12-diamine
PubChem CID23645216
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC NameN,N'-dipyridin-4-yldodecane-1,12-diamine
SMILESc1cc(NCCCCCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C22H34N4/c1(3-5-7-9-15-25-21-11-17-23-18-12-21)2-4-6-8-10-16-26-22-13-19-24-20-14-22/h11-14,17-20H,1-10,15-16H2,(H,23,25)(H,24,26)
InChIKeyREGVEKPXUMXNPU-UHFFFAOYSA-N
XLogP5.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.90
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-yldodecane-1,12-diamine?
The IUPAC name of N,N'-dipyridin-4-yldodecane-1,12-diamine (CID 23645216) is N,N'-dipyridin-4-yldodecane-1,12-diamine.
What is the SMILES notation for N,N'-dipyridin-4-yldodecane-1,12-diamine?
The canonical SMILES for N,N'-dipyridin-4-yldodecane-1,12-diamine is c1cc(NCCCCCCCCCCCCNc2ccncc2)ccn1.
What is the InChIKey of N,N'-dipyridin-4-yldodecane-1,12-diamine?
The InChIKey is REGVEKPXUMXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1(3-5-7-9-15-25-21-11-17-23-18-12-21)2-4-6-8-10-16-26-22-13-19-24-20-14-22/h11-14,17-20H,1-10,15-16H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-dipyridin-4-yldodecane-1,12-diamine?
N,N'-dipyridin-4-yldodecane-1,12-diamine has a molecular weight of 354.54 g/mol, XLogP of 5.90, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipyridin-4-yldodecane-1,12-diamine is sourced from PubChem (CID 23645216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).