N,N'-dipyridin-4-ylundecane-1,11-diamine

C21H32N4 — CID 10472449

IUPACN,N'-dipyridin-4-ylundecane-1,11-diamine
SMILESc1cc(NCCCCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C21H32N4/c1(2-4-6-8-14-24-20-10-16-22-17-11-20)3-5-7-9-15-25-21-12-18-23-19-13-21/h10-13,16-19H,1-9,14-15H2,(H,22,24)(H,23,25)
InChIKeyYRDNITGPGLEUGR-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.51
Rot. Bonds14

About N,N'-dipyridin-4-ylundecane-1,11-diamine

N,N'-dipyridin-4-ylundecane-1,11-diamine (PubChem CID 10472449) has the molecular formula C21H32N4 and a molecular weight of 340.51 g/mol. Its IUPAC name is N,N'-dipyridin-4-ylundecane-1,11-diamine.

Molecular Properties

Compound NameN,N'-dipyridin-4-ylundecane-1,11-diamine
PubChem CID10472449
Molecular FormulaC21H32N4
Molecular Weight340.51 g/mol
Exact Mass340.26
IUPAC NameN,N'-dipyridin-4-ylundecane-1,11-diamine
SMILESc1cc(NCCCCCCCCCCCNc2ccncc2)ccn1
InChIInChI=1S/C21H32N4/c1(2-4-6-8-14-24-20-10-16-22-17-11-20)3-5-7-9-15-25-21-12-18-23-19-13-21/h10-13,16-19H,1-9,14-15H2,(H,22,24)(H,23,25)
InChIKeyYRDNITGPGLEUGR-UHFFFAOYSA-N
XLogP5.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.51
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-ylundecane-1,11-diamine?
The IUPAC name of N,N'-dipyridin-4-ylundecane-1,11-diamine (CID 10472449) is N,N'-dipyridin-4-ylundecane-1,11-diamine.
What is the SMILES notation for N,N'-dipyridin-4-ylundecane-1,11-diamine?
The canonical SMILES for N,N'-dipyridin-4-ylundecane-1,11-diamine is c1cc(NCCCCCCCCCCCNc2ccncc2)ccn1.
What is the InChIKey of N,N'-dipyridin-4-ylundecane-1,11-diamine?
The InChIKey is YRDNITGPGLEUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1(2-4-6-8-14-24-20-10-16-22-17-11-20)3-5-7-9-15-25-21-12-18-23-19-13-21/h10-13,16-19H,1-9,14-15H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-dipyridin-4-ylundecane-1,11-diamine?
N,N'-dipyridin-4-ylundecane-1,11-diamine has a molecular weight of 340.51 g/mol, XLogP of 5.51, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipyridin-4-ylundecane-1,11-diamine is sourced from PubChem (CID 10472449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).