N'-cycloundecylmethanediimine

C12H22N2 — CID 166908646

IUPACN'-cycloundecylmethanediimine
SMILESN=C=NC1CCCCCCCCCC1
InChIInChI=1S/C12H22N2/c13-11-14-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-10H2
InChIKeyPIIFSZADDOOPQT-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.02
Rot. Bonds1

About N'-cycloundecylmethanediimine

N'-cycloundecylmethanediimine (PubChem CID 166908646) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-cycloundecylmethanediimine.

Molecular Properties

Compound NameN'-cycloundecylmethanediimine
PubChem CID166908646
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-cycloundecylmethanediimine
SMILESN=C=NC1CCCCCCCCCC1
InChIInChI=1S/C12H22N2/c13-11-14-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-10H2
InChIKeyPIIFSZADDOOPQT-UHFFFAOYSA-N
XLogP4.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-cycloundecylmethanediimine?
The IUPAC name of N'-cycloundecylmethanediimine (CID 166908646) is N'-cycloundecylmethanediimine.
What is the SMILES notation for N'-cycloundecylmethanediimine?
The canonical SMILES for N'-cycloundecylmethanediimine is N=C=NC1CCCCCCCCCC1.
What is the InChIKey of N'-cycloundecylmethanediimine?
The InChIKey is PIIFSZADDOOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-11-14-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-10H2.
What are the key properties of N'-cycloundecylmethanediimine?
N'-cycloundecylmethanediimine has a molecular weight of 194.32 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloundecylmethanediimine is sourced from PubChem (CID 166908646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).