3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine

C17H26BrN — CID 115325074

IUPAC3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
SMILESCC(C)CCCCNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrN/c1-13(2)5-3-4-10-19-17-11-15(12-17)14-6-8-16(18)9-7-14/h6-9,13,15,17,19H,3-5,10-12H2,1-2H3
InChIKeySBPCUBOSHJKRJO-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.11
Rot. Bonds7

About 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine

3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine (PubChem CID 115325074) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
PubChem CID115325074
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
SMILESCC(C)CCCCNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrN/c1-13(2)5-3-4-10-19-17-11-15(12-17)14-6-8-16(18)9-7-14/h6-9,13,15,17,19H,3-5,10-12H2,1-2H3
InChIKeySBPCUBOSHJKRJO-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine (CID 115325074) is 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine is CC(C)CCCCNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine?
The InChIKey is SBPCUBOSHJKRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-13(2)5-3-4-10-19-17-11-15(12-17)14-6-8-16(18)9-7-14/h6-9,13,15,17,19H,3-5,10-12H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine?
3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine is sourced from PubChem (CID 115325074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).