N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide

C18H28N2O — CID 65019275

IUPACN-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
SMILESCCN(C(=O)C1CCCCCCC1)c1ccc(CN)cc1
InChIInChI=1S/C18H28N2O/c1-2-20(17-12-10-15(14-19)11-13-17)18(21)16-8-6-4-3-5-7-9-16/h10-13,16H,2-9,14,19H2,1H3
InChIKeyAHWOLVVTGGXXHX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.86
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide

N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide (PubChem CID 65019275) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
PubChem CID65019275
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
SMILESCCN(C(=O)C1CCCCCCC1)c1ccc(CN)cc1
InChIInChI=1S/C18H28N2O/c1-2-20(17-12-10-15(14-19)11-13-17)18(21)16-8-6-4-3-5-7-9-16/h10-13,16H,2-9,14,19H2,1H3
InChIKeyAHWOLVVTGGXXHX-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107174542
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
CID 66998977
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106825964
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide (CID 65019275) is N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide is CCN(C(=O)C1CCCCCCC1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide?
The InChIKey is AHWOLVVTGGXXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-20(17-12-10-15(14-19)11-13-17)18(21)16-8-6-4-3-5-7-9-16/h10-13,16H,2-9,14,19H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide?
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide is sourced from PubChem (CID 65019275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).