N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine

C20H33N — CID 65018486

IUPACN-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)C1CCCCCCC1
InChIInChI=1S/C20H33N/c1-3-15-21-20(16-18-13-11-17(2)12-14-18)19-9-7-5-4-6-8-10-19/h11-14,19-21H,3-10,15-16H2,1-2H3
InChIKeySJDLNJVPJOREAU-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.27
Rot. Bonds6

About N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine

N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 65018486) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID65018486
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)C1CCCCCCC1
InChIInChI=1S/C20H33N/c1-3-15-21-20(16-18-13-11-17(2)12-14-18)19-9-7-5-4-6-8-10-19/h11-14,19-21H,3-10,15-16H2,1-2H3
InChIKeySJDLNJVPJOREAU-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
[1-cyclopentyl-2-(4-methylphenyl)ethyl]hydrazine
CID 105204429
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine (CID 65018486) is N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1)C1CCCCCCC1.
What is the InChIKey of N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is SJDLNJVPJOREAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-15-21-20(16-18-13-11-17(2)12-14-18)19-9-7-5-4-6-8-10-19/h11-14,19-21H,3-10,15-16H2,1-2H3.
What are the key properties of N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine?
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65018486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).