2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine

C17H28N2O — CID 163528071

IUPAC2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine
SMILESCC1(C)OC(=N\C2CCCCC2)/C1=N/C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-17(2)15(18-13-9-5-3-6-10-13)16(20-17)19-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3/b18-15-,19-16-
InChIKeyDQNMCQPJXHKNDO-SAQCZPFTSA-N
MW276.42 g/mol
LogP4.30
Rot. Bonds2

About 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine

2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine (PubChem CID 163528071) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine
PubChem CID163528071
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine
SMILESCC1(C)OC(=N\C2CCCCC2)/C1=N/C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-17(2)15(18-13-9-5-3-6-10-13)16(20-17)19-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3/b18-15-,19-16-
InChIKeyDQNMCQPJXHKNDO-SAQCZPFTSA-N
XLogP4.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.30
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-cyclohexylcyclododecanimine
CID 12713305
dimethyl 2-(bromomethyl)-2-(4-bromophenyl)-5-cyclohexyliminofuran-3,4-dicarboxylate
CID 24894384
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984791
N-cyclopentylcyclopentanimine
CID 71356243
5-cyclopentylimino-3,3-dimethylcyclohexan-1-one
CID 91161890
N-cycloheptyl-4-trimethylsilylsulfanylcyclohexan-1-imine
CID 140768345
dimethyl 5'-cyclohexylimino-2,7-dinitrospiro[fluorene-9,2'-furan]-3',4'-dicarboxylate
CID 11706302
(3R,4S)-4-cyclohexyl-3,4-dimethyloxetan-2-one
CID 88528296
N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine
CID 140768335
N-cyclohexyl-16-methoxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-imine
CID 634897
N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756994
N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934589

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine?
The IUPAC name of 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine (CID 163528071) is 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine?
The canonical SMILES for 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine is CC1(C)OC(=N\C2CCCCC2)/C1=N/C1CCCCC1.
What is the InChIKey of 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine?
The InChIKey is DQNMCQPJXHKNDO-SAQCZPFTSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2)15(18-13-9-5-3-6-10-13)16(20-17)19-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3/b18-15-,19-16-.
What are the key properties of 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine?
2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine has a molecular weight of 276.42 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dicyclohexyl-4,4-dimethyloxetane-2,3-diimine is sourced from PubChem (CID 163528071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).