3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine

C17H26ClN — CID 83142856

IUPAC3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2ccc(Cl)cc2)C1)C(C)(C)C
InChIInChI=1S/C17H26ClN/c1-12(17(2,3)4)11-19-16-9-14(10-16)13-5-7-15(18)8-6-13/h5-8,12,14,16,19H,9-11H2,1-4H3
InChIKeyWCQYDSMCEZBHCU-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.86
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine (PubChem CID 83142856) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
PubChem CID83142856
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2ccc(Cl)cc2)C1)C(C)(C)C
InChIInChI=1S/C17H26ClN/c1-12(17(2,3)4)11-19-16-9-14(10-16)13-5-7-15(18)8-6-13/h5-8,12,14,16,19H,9-11H2,1-4H3
InChIKeyWCQYDSMCEZBHCU-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine (CID 83142856) is 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine is CC(CNC1CC(c2ccc(Cl)cc2)C1)C(C)(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine?
The InChIKey is WCQYDSMCEZBHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-12(17(2,3)4)11-19-16-9-14(10-16)13-5-7-15(18)8-6-13/h5-8,12,14,16,19H,9-11H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 83142856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).