N,N'-di(piperidin-1-yl)propane-1,3-diimine

C13H24N4 — CID 89456098

IUPACN,N'-di(piperidin-1-yl)propane-1,3-diimine
SMILESC(CC=NN1CCCCC1)=NN1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-10-16(11-4-1)14-8-7-9-15-17-12-5-2-6-13-17/h8-9H,1-7,10-13H2
InChIKeyPINRSEHBMPMXML-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.32
Rot. Bonds4

About N,N'-di(piperidin-1-yl)propane-1,3-diimine

N,N'-di(piperidin-1-yl)propane-1,3-diimine (PubChem CID 89456098) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N'-di(piperidin-1-yl)propane-1,3-diimine.

Molecular Properties

Compound NameN,N'-di(piperidin-1-yl)propane-1,3-diimine
PubChem CID89456098
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN,N'-di(piperidin-1-yl)propane-1,3-diimine
SMILESC(CC=NN1CCCCC1)=NN1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-10-16(11-4-1)14-8-7-9-15-17-12-5-2-6-13-17/h8-9H,1-7,10-13H2
InChIKeyPINRSEHBMPMXML-UHFFFAOYSA-N
XLogP2.32
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(piperidin-1-yl)propane-1,3-diimine?
The IUPAC name of N,N'-di(piperidin-1-yl)propane-1,3-diimine (CID 89456098) is N,N'-di(piperidin-1-yl)propane-1,3-diimine.
What is the SMILES notation for N,N'-di(piperidin-1-yl)propane-1,3-diimine?
The canonical SMILES for N,N'-di(piperidin-1-yl)propane-1,3-diimine is C(CC=NN1CCCCC1)=NN1CCCCC1.
What is the InChIKey of N,N'-di(piperidin-1-yl)propane-1,3-diimine?
The InChIKey is PINRSEHBMPMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-10-16(11-4-1)14-8-7-9-15-17-12-5-2-6-13-17/h8-9H,1-7,10-13H2.
What are the key properties of N,N'-di(piperidin-1-yl)propane-1,3-diimine?
N,N'-di(piperidin-1-yl)propane-1,3-diimine has a molecular weight of 236.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(piperidin-1-yl)propane-1,3-diimine is sourced from PubChem (CID 89456098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).