N-(4-ethylphenyl)cyclododecanamine

C20H33N — CID 63422898

IUPACN-(4-ethylphenyl)cyclododecanamine
SMILESCCc1ccc(NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C20H33N/c1-2-18-14-16-20(17-15-18)21-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17,19,21H,2-13H2,1H3
InChIKeyWQXCGAFGPDXRCC-UHFFFAOYSA-N
MW287.49 g/mol
LogP6.33
Rot. Bonds3

About N-(4-ethylphenyl)cyclododecanamine

N-(4-ethylphenyl)cyclododecanamine (PubChem CID 63422898) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)cyclododecanamine.

Molecular Properties

Compound NameN-(4-ethylphenyl)cyclododecanamine
PubChem CID63422898
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(4-ethylphenyl)cyclododecanamine
SMILESCCc1ccc(NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C20H33N/c1-2-18-14-16-20(17-15-18)21-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17,19,21H,2-13H2,1H3
InChIKeyWQXCGAFGPDXRCC-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)cyclododecanamine?
The IUPAC name of N-(4-ethylphenyl)cyclododecanamine (CID 63422898) is N-(4-ethylphenyl)cyclododecanamine.
What is the SMILES notation for N-(4-ethylphenyl)cyclododecanamine?
The canonical SMILES for N-(4-ethylphenyl)cyclododecanamine is CCc1ccc(NC2CCCCCCCCCCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)cyclododecanamine?
The InChIKey is WQXCGAFGPDXRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-2-18-14-16-20(17-15-18)21-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17,19,21H,2-13H2,1H3.
What are the key properties of N-(4-ethylphenyl)cyclododecanamine?
N-(4-ethylphenyl)cyclododecanamine has a molecular weight of 287.49 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)cyclododecanamine is sourced from PubChem (CID 63422898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).