1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine

C20H33N — CID 65018209

IUPAC1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C1CCCCCCC1
InChIInChI=1S/C20H33N/c1-20(2,3)18-14-12-17(13-15-18)19(21-4)16-10-8-6-5-7-9-11-16/h12-16,19,21H,5-11H2,1-4H3
InChIKeyFCJPCIRIBNCFRZ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.61
Rot. Bonds3

About 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine

1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine (PubChem CID 65018209) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
PubChem CID65018209
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C1CCCCCCC1
InChIInChI=1S/C20H33N/c1-20(2,3)18-14-12-17(13-15-18)19(21-4)16-10-8-6-5-7-9-11-16/h12-16,19,21H,5-11H2,1-4H3
InChIKeyFCJPCIRIBNCFRZ-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412580
1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
4-[cyclobutyl(methylamino)methyl]-N-methylaniline
CID 116952141
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine (CID 65018209) is 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine is CNC(c1ccc(C(C)(C)C)cc1)C1CCCCCCC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
The InChIKey is FCJPCIRIBNCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-20(2,3)18-14-12-17(13-15-18)19(21-4)16-10-8-6-5-7-9-11-16/h12-16,19,21H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine is sourced from PubChem (CID 65018209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).