N-tert-butyl-3-phenylcyclobutan-1-imine

C14H19N — CID 11367667

IUPACN-tert-butyl-3-phenylcyclobutan-1-imine
SMILESCC(C)(C)N=C1CC(c2ccccc2)C1
InChIInChI=1S/C14H19N/c1-14(2,3)15-13-9-12(10-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b15-13-
InChIKeyLPZLLLRLHKUSGL-SQFISAMPSA-N
MW201.31 g/mol
LogP3.80
Rot. Bonds1

About N-tert-butyl-3-phenylcyclobutan-1-imine

N-tert-butyl-3-phenylcyclobutan-1-imine (PubChem CID 11367667) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-tert-butyl-3-phenylcyclobutan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3-phenylcyclobutan-1-imine
PubChem CID11367667
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-tert-butyl-3-phenylcyclobutan-1-imine
SMILESCC(C)(C)N=C1CC(c2ccccc2)C1
InChIInChI=1S/C14H19N/c1-14(2,3)15-13-9-12(10-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b15-13-
InChIKeyLPZLLLRLHKUSGL-SQFISAMPSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.80
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

Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, oxime
CID 6506666
N-(3-phenylcyclobutylidene)hydroxylamine
CID 57357177
Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl pentyl, oxime
CID 9570814
N-Methyl-1-phenylethan-1-imine
CID 576474
2-Propanamine, N-(diphenylmethylene)-2-methyl-
CID 613754
5-methyl-3-phenyl-3,4-dihydro-2H-pyrrole
CID 13677443
acetophenone N-propylimine
CID 2755403
1-(4-methylphenyl)-N-propylethanimine
CID 10856003
N-tert-butyl-1-phenylethanimine
CID 11008442
Acetophenon-n-butylimin
CID 11041237
1-phenyl-N-propylpropan-2-imine
CID 11105880
N-tert-butyl-2-phenylethanimine
CID 12056257

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-phenylcyclobutan-1-imine?
The IUPAC name of N-tert-butyl-3-phenylcyclobutan-1-imine (CID 11367667) is N-tert-butyl-3-phenylcyclobutan-1-imine.
What is the SMILES notation for N-tert-butyl-3-phenylcyclobutan-1-imine?
The canonical SMILES for N-tert-butyl-3-phenylcyclobutan-1-imine is CC(C)(C)N=C1CC(c2ccccc2)C1.
What is the InChIKey of N-tert-butyl-3-phenylcyclobutan-1-imine?
The InChIKey is LPZLLLRLHKUSGL-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19N/c1-14(2,3)15-13-9-12(10-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b15-13-.
What are the key properties of N-tert-butyl-3-phenylcyclobutan-1-imine?
N-tert-butyl-3-phenylcyclobutan-1-imine has a molecular weight of 201.31 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-phenylcyclobutan-1-imine is sourced from PubChem (CID 11367667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).