N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine

C20H33N — CID 43634778

IUPACN-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCCCCCC(C)C)C2)cc1
InChIInChI=1S/C20H33N/c1-16(2)8-6-4-5-7-13-21-20-14-19(15-20)18-11-9-17(3)10-12-18/h9-12,16,19-21H,4-8,13-15H2,1-3H3
InChIKeyUECRGZYPVQKXEV-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.44
Rot. Bonds9

About N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine

N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 43634778) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID43634778
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCCCCCC(C)C)C2)cc1
InChIInChI=1S/C20H33N/c1-16(2)8-6-4-5-7-13-21-20-14-19(15-20)18-11-9-17(3)10-12-18/h9-12,16,19-21H,4-8,13-15H2,1-3H3
InChIKeyUECRGZYPVQKXEV-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.44
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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Related Compounds

N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
CID 115325074
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
3-methyl-N-(7-methyloctyl)cyclobutan-1-amine
CID 103560965
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635717
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 102696984
N-cyclopropyl-4-[[3-(4-methylphenyl)cyclobutyl]amino]butanamide
CID 79378064
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine (CID 43634778) is N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCCCCCCC(C)C)C2)cc1.
What is the InChIKey of N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is UECRGZYPVQKXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16(2)8-6-4-5-7-13-21-20-14-19(15-20)18-11-9-17(3)10-12-18/h9-12,16,19-21H,4-8,13-15H2,1-3H3.
What are the key properties of N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine?
N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).