N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine

C23H36BNO — CID 622621

IUPACN-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine
SMILESCCB(CC)OCc1ccc(C2CCCC/C2=N\C2CCCCC2)cc1
InChIInChI=1S/C23H36BNO/c1-3-24(4-2)26-18-19-14-16-20(17-15-19)22-12-8-9-13-23(22)25-21-10-6-5-7-11-21/h14-17,21-22H,3-13,18H2,1-2H3/b25-23+
InChIKeyGWHGZKLQFUIEJR-WJTDDFOZSA-N
MW353.36 g/mol
LogP6.67
Rot. Bonds7

About N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine

N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine (PubChem CID 622621) has the molecular formula C23H36BNO and a molecular weight of 353.36 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine
PubChem CID622621
Molecular FormulaC23H36BNO
Molecular Weight353.36 g/mol
Exact Mass353.29
IUPAC NameN-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine
SMILESCCB(CC)OCc1ccc(C2CCCC/C2=N\C2CCCCC2)cc1
InChIInChI=1S/C23H36BNO/c1-3-24(4-2)26-18-19-14-16-20(17-15-19)22-12-8-9-13-23(22)25-21-10-6-5-7-11-21/h14-17,21-22H,3-13,18H2,1-2H3/b25-23+
InChIKeyGWHGZKLQFUIEJR-WJTDDFOZSA-N
XLogP6.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.36
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-phenylcyclobutan-1-imine
CID 102179459
(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine
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N-[2-(4-chlorophenyl)cyclohexylidene]hydroxylamine
CID 173461137
(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
CID 98298121
(NZ)-N-[(2S)-2-phenylcyclohexylidene]hydroxylamine
CID 92524008
(NZ)-N-[2-(3-methoxyphenyl)cyclohexylidene]hydroxylamine
CID 6183979
2-(4-ethoxyphenyl)cyclohexan-1-one
CID 62801107
N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine
CID 140768335
2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one
CID 22915889
N-cyclohexylcyclododecanimine
CID 12713305
1-ethylidene-2-(4-fluorophenyl)cycloheptane
CID 167278345
N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine
CID 140768111

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine?
The IUPAC name of N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine (CID 622621) is N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine.
What is the SMILES notation for N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine?
The canonical SMILES for N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine is CCB(CC)OCc1ccc(C2CCCC/C2=N\C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine?
The InChIKey is GWHGZKLQFUIEJR-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H36BNO/c1-3-24(4-2)26-18-19-14-16-20(17-15-19)22-12-8-9-13-23(22)25-21-10-6-5-7-11-21/h14-17,21-22H,3-13,18H2,1-2H3/b25-23+.
What are the key properties of N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine?
N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine has a molecular weight of 353.36 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine is sourced from PubChem (CID 622621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).