6-amino-1-(3-ethylphenyl)hexan-1-one

C14H21NO — CID 116550033

IUPAC6-amino-1-(3-ethylphenyl)hexan-1-one
SMILESCCc1cccc(C(=O)CCCCCN)c1
InChIInChI=1S/C14H21NO/c1-2-12-7-6-8-13(11-12)14(16)9-4-3-5-10-15/h6-8,11H,2-5,9-10,15H2,1H3
InChIKeyNWPNAGJOVXRNMN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds7

About 6-amino-1-(3-ethylphenyl)hexan-1-one

6-amino-1-(3-ethylphenyl)hexan-1-one (PubChem CID 116550033) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-amino-1-(3-ethylphenyl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3-ethylphenyl)hexan-1-one
PubChem CID116550033
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-amino-1-(3-ethylphenyl)hexan-1-one
SMILESCCc1cccc(C(=O)CCCCCN)c1
InChIInChI=1S/C14H21NO/c1-2-12-7-6-8-13(11-12)14(16)9-4-3-5-10-15/h6-8,11H,2-5,9-10,15H2,1H3
InChIKeyNWPNAGJOVXRNMN-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylphenyl)octan-1-one
CID 115788827
5-amino-1-(3-ethylphenyl)hexan-1-one
CID 116610152
1-(3-propylphenyl)heptan-1-one
CID 115812204
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
7-amino-1-(3,4-dimethylphenyl)heptan-1-one
CID 116551492
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
CID 117278674
1-(3-aminophenyl)decan-1-one
CID 116548502
1-(3-aminophenyl)undecan-1-one
CID 116548557
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one
CID 116557940
4-but-3-ynoxy-1-(3-ethylphenyl)butan-1-one
CID 158998439

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-ethylphenyl)hexan-1-one?
The IUPAC name of 6-amino-1-(3-ethylphenyl)hexan-1-one (CID 116550033) is 6-amino-1-(3-ethylphenyl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(3-ethylphenyl)hexan-1-one?
The canonical SMILES for 6-amino-1-(3-ethylphenyl)hexan-1-one is CCc1cccc(C(=O)CCCCCN)c1.
What is the InChIKey of 6-amino-1-(3-ethylphenyl)hexan-1-one?
The InChIKey is NWPNAGJOVXRNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12-7-6-8-13(11-12)14(16)9-4-3-5-10-15/h6-8,11H,2-5,9-10,15H2,1H3.
What are the key properties of 6-amino-1-(3-ethylphenyl)hexan-1-one?
6-amino-1-(3-ethylphenyl)hexan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-ethylphenyl)hexan-1-one is sourced from PubChem (CID 116550033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).