N-(4-tert-butylphenyl)cyclooctanamine

C18H29N — CID 28526641

IUPACN-(4-tert-butylphenyl)cyclooctanamine
SMILESCC(C)(C)c1ccc(NC2CCCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)15-11-13-17(14-12-15)19-16-9-7-5-4-6-8-10-16/h11-14,16,19H,4-10H2,1-3H3
InChIKeyBGQJSKCXDFHDNV-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.51
Rot. Bonds2

About N-(4-tert-butylphenyl)cyclooctanamine

N-(4-tert-butylphenyl)cyclooctanamine (PubChem CID 28526641) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)cyclooctanamine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)cyclooctanamine
PubChem CID28526641
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(4-tert-butylphenyl)cyclooctanamine
SMILESCC(C)(C)c1ccc(NC2CCCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)15-11-13-17(14-12-15)19-16-9-7-5-4-6-8-10-16/h11-14,16,19H,4-10H2,1-3H3
InChIKeyBGQJSKCXDFHDNV-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-tert-butylphenyl)cyclooctanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)cyclooctanamine?
The IUPAC name of N-(4-tert-butylphenyl)cyclooctanamine (CID 28526641) is N-(4-tert-butylphenyl)cyclooctanamine.
What is the SMILES notation for N-(4-tert-butylphenyl)cyclooctanamine?
The canonical SMILES for N-(4-tert-butylphenyl)cyclooctanamine is CC(C)(C)c1ccc(NC2CCCCCCC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)cyclooctanamine?
The InChIKey is BGQJSKCXDFHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)15-11-13-17(14-12-15)19-16-9-7-5-4-6-8-10-16/h11-14,16,19H,4-10H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)cyclooctanamine?
N-(4-tert-butylphenyl)cyclooctanamine has a molecular weight of 259.44 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)cyclooctanamine is sourced from PubChem (CID 28526641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).