spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine

C13H20N4 — CID 163931629

IUPACspiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine
SMILESNC1(N)CC2(CCNCC2)c2ccccc2N1
InChIInChI=1S/C13H20N4/c14-13(15)9-12(5-7-16-8-6-12)10-3-1-2-4-11(10)17-13/h1-4,16-17H,5-9,14-15H2
InChIKeyRJDFFLGRJLUQJC-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.69
Rot. Bonds

About spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine

spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine (PubChem CID 163931629) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine.

Molecular Properties

Compound Namespiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine
PubChem CID163931629
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Namespiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine
SMILESNC1(N)CC2(CCNCC2)c2ccccc2N1
InChIInChI=1S/C13H20N4/c14-13(15)9-12(5-7-16-8-6-12)10-3-1-2-4-11(10)17-13/h1-4,16-17H,5-9,14-15H2
InChIKeyRJDFFLGRJLUQJC-UHFFFAOYSA-N
XLogP0.69
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine?
The IUPAC name of spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine (CID 163931629) is spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine.
What is the SMILES notation for spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine?
The canonical SMILES for spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine is NC1(N)CC2(CCNCC2)c2ccccc2N1.
What is the InChIKey of spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine?
The InChIKey is RJDFFLGRJLUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-13(15)9-12(5-7-16-8-6-12)10-3-1-2-4-11(10)17-13/h1-4,16-17H,5-9,14-15H2.
What are the key properties of spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine?
spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 0.69, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroquinoline-4,4'-piperidine]-2,2-diamine is sourced from PubChem (CID 163931629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).