N,N'-dibutylethane-1,2-diimine

C10H20N2 — CID 11953759

IUPACN,N'-dibutylethane-1,2-diimine
SMILESCCCC/N=C/C=N/CCCC
InChIInChI=1S/C10H20N2/c1-3-5-7-11-9-10-12-8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyZWQDCCSPOBROLX-WGDLNXRISA-N
MW168.28 g/mol
LogP2.73
Rot. Bonds7

About N,N'-dibutylethane-1,2-diimine

N,N'-dibutylethane-1,2-diimine (PubChem CID 11953759) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N'-dibutylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-dibutylethane-1,2-diimine
PubChem CID11953759
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N'-dibutylethane-1,2-diimine
SMILESCCCC/N=C/C=N/CCCC
InChIInChI=1S/C10H20N2/c1-3-5-7-11-9-10-12-8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyZWQDCCSPOBROLX-WGDLNXRISA-N
XLogP2.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutylethane-1,2-diimine?
The IUPAC name of N,N'-dibutylethane-1,2-diimine (CID 11953759) is N,N'-dibutylethane-1,2-diimine.
What is the SMILES notation for N,N'-dibutylethane-1,2-diimine?
The canonical SMILES for N,N'-dibutylethane-1,2-diimine is CCCC/N=C/C=N/CCCC.
What is the InChIKey of N,N'-dibutylethane-1,2-diimine?
The InChIKey is ZWQDCCSPOBROLX-WGDLNXRISA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-7-11-9-10-12-8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9+,12-10+.
What are the key properties of N,N'-dibutylethane-1,2-diimine?
N,N'-dibutylethane-1,2-diimine has a molecular weight of 168.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutylethane-1,2-diimine is sourced from PubChem (CID 11953759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).