N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide

C16H24N2O — CID 106826094

IUPACN-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(C)CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-3-18(14-9-7-8-13(17)12-14)15(19)16(2)10-5-4-6-11-16/h7-9,12H,3-6,10-11,17H2,1-2H3
InChIKeyBFZPKNNTDNVFDK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.59
Rot. Bonds3

About N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide

N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide (PubChem CID 106826094) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
PubChem CID106826094
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(C)CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-3-18(14-9-7-8-13(17)12-14)15(19)16(2)10-5-4-6-11-16/h7-9,12H,3-6,10-11,17H2,1-2H3
InChIKeyBFZPKNNTDNVFDK-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106825964
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
CID 104596534
1-carbamothioyl-N-ethyl-N-(3-hydroxyphenyl)cyclopentane-1-carboxamide
CID 107735352
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
CID 63229674
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 63229882

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide (CID 106826094) is N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide is CCN(C(=O)C1(C)CCCCC1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The InChIKey is BFZPKNNTDNVFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(14-9-7-8-13(17)12-14)15(19)16(2)10-5-4-6-11-16/h7-9,12H,3-6,10-11,17H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106826094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).