N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine

C20H33N — CID 116544896

IUPACN-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2CCCCCCC2)c1
InChIInChI=1S/C20H33N/c1-3-11-17-12-10-15-19(16-17)20(21-4-2)18-13-8-6-5-7-9-14-18/h10,12,15-16,18,20-21H,3-9,11,13-14H2,1-2H3
InChIKeyXIPSOWFITGYFJO-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.65
Rot. Bonds6

About N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine

N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine (PubChem CID 116544896) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
PubChem CID116544896
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2CCCCCCC2)c1
InChIInChI=1S/C20H33N/c1-3-11-17-12-10-15-19(16-17)20(21-4-2)18-13-8-6-5-7-9-14-18/h10,12,15-16,18,20-21H,3-9,11,13-14H2,1-2H3
InChIKeyXIPSOWFITGYFJO-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-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
CID 105027846
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine (CID 116544896) is N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)C2CCCCCCC2)c1.
What is the InChIKey of N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine?
The InChIKey is XIPSOWFITGYFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-11-17-12-10-15-19(16-17)20(21-4-2)18-13-8-6-5-7-9-14-18/h10,12,15-16,18,20-21H,3-9,11,13-14H2,1-2H3.
What are the key properties of N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine?
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine 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 N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 116544896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).