N,N'-dicyclohexylmethanediimine;ethynoxyethane

C17H28N2O — CID 21481424

IUPACN,N'-dicyclohexylmethanediimine;ethynoxyethane
SMILESC#COCC.C(=NC1CCCCC1)=NC1CCCCC1
InChIInChI=1S/C13H22N2.C4H6O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3-5-4-2/h12-13H,1-10H2;1H,4H2,2H3
InChIKeyWAAWUWVJQLVNKP-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.44
Rot. Bonds3

About N,N'-dicyclohexylmethanediimine;ethynoxyethane

N,N'-dicyclohexylmethanediimine;ethynoxyethane (PubChem CID 21481424) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;ethynoxyethane.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;ethynoxyethane
PubChem CID21481424
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N'-dicyclohexylmethanediimine;ethynoxyethane
SMILESC#COCC.C(=NC1CCCCC1)=NC1CCCCC1
InChIInChI=1S/C13H22N2.C4H6O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3-5-4-2/h12-13H,1-10H2;1H,4H2,2H3
InChIKeyWAAWUWVJQLVNKP-UHFFFAOYSA-N
XLogP4.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmethanediimine;ethynoxyethane?
The IUPAC name of N,N'-dicyclohexylmethanediimine;ethynoxyethane (CID 21481424) is N,N'-dicyclohexylmethanediimine;ethynoxyethane.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;ethynoxyethane?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;ethynoxyethane is C#COCC.C(=NC1CCCCC1)=NC1CCCCC1.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;ethynoxyethane?
The InChIKey is WAAWUWVJQLVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C4H6O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3-5-4-2/h12-13H,1-10H2;1H,4H2,2H3.
What are the key properties of N,N'-dicyclohexylmethanediimine;ethynoxyethane?
N,N'-dicyclohexylmethanediimine;ethynoxyethane has a molecular weight of 276.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;ethynoxyethane is sourced from PubChem (CID 21481424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).