N,N'-dicyclohexylmethanediimine;propan-2-one

C16H28N2O — CID 142827484

IUPACN,N'-dicyclohexylmethanediimine;propan-2-one
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CC(C)=O
InChIInChI=1S/C13H22N2.C3H6O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3(2)4/h12-13H,1-10H2;1-2H3
InChIKeyULRGXCNDESCFDH-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.42
Rot. Bonds2

About N,N'-dicyclohexylmethanediimine;propan-2-one

N,N'-dicyclohexylmethanediimine;propan-2-one (PubChem CID 142827484) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;propan-2-one.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;propan-2-one
PubChem CID142827484
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN,N'-dicyclohexylmethanediimine;propan-2-one
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CC(C)=O
InChIInChI=1S/C13H22N2.C3H6O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3(2)4/h12-13H,1-10H2;1-2H3
InChIKeyULRGXCNDESCFDH-UHFFFAOYSA-N
XLogP4.42
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclohexylmethanediimine;λ2-plumbane
CID 174956509
sodium;N,N'-dicyclohexylmethanediimine;hydride
CID 175020266
N,N'-dicyclohexylmethanediimine;isocyanic acid
CID 87197010
lithium;N,N'-dicyclohexylmethanediimine;thiocyanate
CID 87293630
CID 159949991
CID 159949991
N-cyclohexyl-N'-[1-(cyclohexyliminomethylideneamino)ethyl]methanediimine
CID 141213199
N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid
CID 88510000
N,N'-dicyclohexylmethanediimine;4-methylmorpholine
CID 174388370
N,N'-dicyclohexylmethanediimine;ethynoxyethane
CID 21481424
N'-tert-butyl-N-cyclopentylmethanediimine
CID 44613172
N,N'-dicyclohexylmethanediimine;N,N-diethylethanamine;2-methylpropyl carbonochloridate
CID 157084875
1,6-diisocyanatocyclodecane
CID 126756380

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmethanediimine;propan-2-one?
The IUPAC name of N,N'-dicyclohexylmethanediimine;propan-2-one (CID 142827484) is N,N'-dicyclohexylmethanediimine;propan-2-one.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;propan-2-one?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;propan-2-one is C(=NC1CCCCC1)=NC1CCCCC1.CC(C)=O.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;propan-2-one?
The InChIKey is ULRGXCNDESCFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C3H6O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3(2)4/h12-13H,1-10H2;1-2H3.
What are the key properties of N,N'-dicyclohexylmethanediimine;propan-2-one?
N,N'-dicyclohexylmethanediimine;propan-2-one has a molecular weight of 264.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;propan-2-one is sourced from PubChem (CID 142827484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).