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

C20H33N — CID 65018164

IUPAC1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)C2CCCCCCC2)cc1
InChIInChI=1S/C20H33N/c1-3-4-10-17-13-15-19(16-14-17)20(21-2)18-11-8-6-5-7-9-12-18/h13-16,18,20-21H,3-12H2,1-2H3
InChIKeyDYRKWFBJBIULJP-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.65
Rot. Bonds6

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

1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine (PubChem CID 65018164) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
PubChem CID65018164
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)C2CCCCCCC2)cc1
InChIInChI=1S/C20H33N/c1-3-4-10-17-13-15-19(16-14-17)20(21-2)18-11-8-6-5-7-9-12-18/h13-16,18,20-21H,3-12H2,1-2H3
InChIKeyDYRKWFBJBIULJP-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
CID 116957004
1-(4-butylphenyl)-N'-cyclohexylmethanediamine
CID 175117275
N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
N-[(4-butylphenyl)-cyclopropylmethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 23220832
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209
1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
The IUPAC name of 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine (CID 65018164) is 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
The canonical SMILES for 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine is CCCCc1ccc(C(NC)C2CCCCCCC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
The InChIKey is DYRKWFBJBIULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-4-10-17-13-15-19(16-14-17)20(21-2)18-11-8-6-5-7-9-12-18/h13-16,18,20-21H,3-12H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine?
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine is sourced from PubChem (CID 65018164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).