N-cyclohexyl-2-phenylcyclobutan-1-imine

C16H21N — CID 102179459

IUPACN-cyclohexyl-2-phenylcyclobutan-1-imine
SMILESc1ccc(C2CC/C2=N\C2CCCCC2)cc1
InChIInChI=1S/C16H21N/c1-3-7-13(8-4-1)15-11-12-16(15)17-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2/b17-16+
InChIKeyKINWDSTTWKNDCO-WUKNDPDISA-N
MW227.35 g/mol
LogP4.34
Rot. Bonds2

About N-cyclohexyl-2-phenylcyclobutan-1-imine

N-cyclohexyl-2-phenylcyclobutan-1-imine (PubChem CID 102179459) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-cyclohexyl-2-phenylcyclobutan-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-phenylcyclobutan-1-imine
PubChem CID102179459
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-cyclohexyl-2-phenylcyclobutan-1-imine
SMILESc1ccc(C2CC/C2=N\C2CCCCC2)cc1
InChIInChI=1S/C16H21N/c1-3-7-13(8-4-1)15-11-12-16(15)17-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2/b17-16+
InChIKeyKINWDSTTWKNDCO-WUKNDPDISA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(NZ)-N-[(2S)-2-phenylcyclohexylidene]hydroxylamine
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(3S)-N,1-dicyclohexyl-3-phenylazetidin-2-imine
CID 100941437
N-cyclohexyl-2-[4-(diethylboranyloxymethyl)phenyl]cyclohexan-1-imine
CID 622621
[(1S)-2-methylidenecyclobutyl]benzene
CID 163933386
(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one
CID 7065476
CID 159076923
CID 159076923
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CID 174910153
cyclohexyl(phenyl)iodanium
CID 87308360
N-cyclohexylcyclododecanimine
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cyclopentylbenzene;iron
CID 158512704

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenylcyclobutan-1-imine?
The IUPAC name of N-cyclohexyl-2-phenylcyclobutan-1-imine (CID 102179459) is N-cyclohexyl-2-phenylcyclobutan-1-imine.
What is the SMILES notation for N-cyclohexyl-2-phenylcyclobutan-1-imine?
The canonical SMILES for N-cyclohexyl-2-phenylcyclobutan-1-imine is c1ccc(C2CC/C2=N\C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-phenylcyclobutan-1-imine?
The InChIKey is KINWDSTTWKNDCO-WUKNDPDISA-N. The full InChI is InChI=1S/C16H21N/c1-3-7-13(8-4-1)15-11-12-16(15)17-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2/b17-16+.
What are the key properties of N-cyclohexyl-2-phenylcyclobutan-1-imine?
N-cyclohexyl-2-phenylcyclobutan-1-imine has a molecular weight of 227.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenylcyclobutan-1-imine is sourced from PubChem (CID 102179459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).