5-amino-1-(4-tert-butylphenyl)hexan-2-one

C16H25NO — CID 116571711

IUPAC5-amino-1-(4-tert-butylphenyl)hexan-2-one
SMILESCC(N)CCC(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(17)5-10-15(18)11-13-6-8-14(9-7-13)16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3
InChIKeyOFYUBSSTEQKUHZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.22
Rot. Bonds5

About 5-amino-1-(4-tert-butylphenyl)hexan-2-one

5-amino-1-(4-tert-butylphenyl)hexan-2-one (PubChem CID 116571711) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-amino-1-(4-tert-butylphenyl)hexan-2-one.

Molecular Properties

Compound Name5-amino-1-(4-tert-butylphenyl)hexan-2-one
PubChem CID116571711
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-amino-1-(4-tert-butylphenyl)hexan-2-one
SMILESCC(N)CCC(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(17)5-10-15(18)11-13-6-8-14(9-7-13)16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3
InChIKeyOFYUBSSTEQKUHZ-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116571734
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
1-(4-tert-butylphenyl)-4-chlorobutan-2-one
CID 57224368
6-amino-1-(4-bromophenyl)heptan-2-one
CID 116610163
1-(4-tert-butylphenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558232
1-(4-tert-butylphenyl)-3-chloropropan-2-one
CID 87878466
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
4-(4-tert-butylphenyl)-3-oxobutanenitrile
CID 82078625
1-(4-tert-butylphenyl)-4-methoxybutan-2-one
CID 62619886
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(4-tert-butylphenyl)-4-(ethylamino)pentan-2-one
CID 116566765
1-(butan-2-ylamino)-3-(4-tert-butylphenyl)propan-2-one
CID 116556209

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-tert-butylphenyl)hexan-2-one?
The IUPAC name of 5-amino-1-(4-tert-butylphenyl)hexan-2-one (CID 116571711) is 5-amino-1-(4-tert-butylphenyl)hexan-2-one.
What is the SMILES notation for 5-amino-1-(4-tert-butylphenyl)hexan-2-one?
The canonical SMILES for 5-amino-1-(4-tert-butylphenyl)hexan-2-one is CC(N)CCC(=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-amino-1-(4-tert-butylphenyl)hexan-2-one?
The InChIKey is OFYUBSSTEQKUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(17)5-10-15(18)11-13-6-8-14(9-7-13)16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3.
What are the key properties of 5-amino-1-(4-tert-butylphenyl)hexan-2-one?
5-amino-1-(4-tert-butylphenyl)hexan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-tert-butylphenyl)hexan-2-one is sourced from PubChem (CID 116571711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).