6-(3-aminophenyl)hexanamide

C12H18N2O — CID 121009137

IUPAC6-(3-aminophenyl)hexanamide
SMILESNC(=O)CCCCCc1cccc(N)c1
InChIInChI=1S/C12H18N2O/c13-11-7-4-6-10(9-11)5-2-1-3-8-12(14)15/h4,6-7,9H,1-3,5,8,13H2,(H2,14,15)
InChIKeyWEUAXRJPFFYZTP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.86
Rot. Bonds6

About 6-(3-aminophenyl)hexanamide

6-(3-aminophenyl)hexanamide (PubChem CID 121009137) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-(3-aminophenyl)hexanamide.

Molecular Properties

Compound Name6-(3-aminophenyl)hexanamide
PubChem CID121009137
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-(3-aminophenyl)hexanamide
SMILESNC(=O)CCCCCc1cccc(N)c1
InChIInChI=1S/C12H18N2O/c13-11-7-4-6-10(9-11)5-2-1-3-8-12(14)15/h4,6-7,9H,1-3,5,8,13H2,(H2,14,15)
InChIKeyWEUAXRJPFFYZTP-UHFFFAOYSA-N
XLogP1.86
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
3-(12-amino-12-oxododecyl)benzamide
CID 19832819
ethyl 5-(3-aminophenyl)pentanoate
CID 11775691
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
3-docosylaniline
CID 139654071
3-(3-aminophenyl)propan-1-ol
CID 10103334
ethyl 4-(3-aminophenyl)butanoate
CID 66895353
3-pentylaniline
CID 19911390
5-(3-aminophenyl)pentanal
CID 54510654
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)hexanamide?
The IUPAC name of 6-(3-aminophenyl)hexanamide (CID 121009137) is 6-(3-aminophenyl)hexanamide.
What is the SMILES notation for 6-(3-aminophenyl)hexanamide?
The canonical SMILES for 6-(3-aminophenyl)hexanamide is NC(=O)CCCCCc1cccc(N)c1.
What is the InChIKey of 6-(3-aminophenyl)hexanamide?
The InChIKey is WEUAXRJPFFYZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-7-4-6-10(9-11)5-2-1-3-8-12(14)15/h4,6-7,9H,1-3,5,8,13H2,(H2,14,15).
What are the key properties of 6-(3-aminophenyl)hexanamide?
6-(3-aminophenyl)hexanamide has a molecular weight of 206.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)hexanamide is sourced from PubChem (CID 121009137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).