6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one

C17H27NO — CID 116578308

IUPAC6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
SMILESCCC(CCN)CCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-14(11-12-18)5-10-17(19)16-8-6-15(7-9-16)13(2)3/h6-9,13-14H,4-5,10-12,18H2,1-3H3
InChIKeyGMOKBHYUSWKKGU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds8

About 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one

6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one (PubChem CID 116578308) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
PubChem CID116578308
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
SMILESCCC(CCN)CCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-14(11-12-18)5-10-17(19)16-8-6-15(7-9-16)13(2)3/h6-9,13-14H,4-5,10-12,18H2,1-3H3
InChIKeyGMOKBHYUSWKKGU-UHFFFAOYSA-N
XLogP4.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
CID 116578135
4-(2-aminoethyl)-1-(4-methylphenyl)heptan-1-one
CID 116582789
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
8-amino-6-ethyloctan-3-one
CID 116578085
4-(2-aminoethyl)-1-(4-propoxyphenyl)heptan-1-one
CID 116582867
4-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561314
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
4-ethyl-1-phenyloctan-1-one
CID 63399594

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one?
The IUPAC name of 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one (CID 116578308) is 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one.
What is the SMILES notation for 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one?
The canonical SMILES for 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one is CCC(CCN)CCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one?
The InChIKey is GMOKBHYUSWKKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14(11-12-18)5-10-17(19)16-8-6-15(7-9-16)13(2)3/h6-9,13-14H,4-5,10-12,18H2,1-3H3.
What are the key properties of 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one?
6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one has a molecular weight of 261.41 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one is sourced from PubChem (CID 116578308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).