3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one

C17H27NO2 — CID 116614614

IUPAC3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one
SMILESCC(C)Oc1ccc(C(=O)CC(N)CC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)20-15-8-6-13(7-9-15)16(19)10-14(18)11-17(3,4)5/h6-9,12,14H,10-11,18H2,1-5H3
InChIKeyFKYVOMINDYZERM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds6

About 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one

3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one (PubChem CID 116614614) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one
PubChem CID116614614
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one
SMILESCC(C)Oc1ccc(C(=O)CC(N)CC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)20-15-8-6-13(7-9-15)16(19)10-14(18)11-17(3,4)5/h6-9,12,14H,10-11,18H2,1-5H3
InChIKeyFKYVOMINDYZERM-UHFFFAOYSA-N
XLogP3.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 81463114
3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
CID 116614561
3-amino-1-(3,4-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614648
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
tris[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] phosphate
CID 139615221
4-(4,4-dimethylpentan-2-yloxy)benzoic acid
CID 144989125
dimethyl-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]sulfanium
CID 139727794
1-propan-2-yloxy-4-(2,5,5-trimethylhexan-3-yl)benzene
CID 123364737
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116607520
tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate
CID 83224734

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one?
The IUPAC name of 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one (CID 116614614) is 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one.
What is the SMILES notation for 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one?
The canonical SMILES for 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one is CC(C)Oc1ccc(C(=O)CC(N)CC(C)(C)C)cc1.
What is the InChIKey of 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one?
The InChIKey is FKYVOMINDYZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)20-15-8-6-13(7-9-15)16(19)10-14(18)11-17(3,4)5/h6-9,12,14H,10-11,18H2,1-5H3.
What are the key properties of 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one?
3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one is sourced from PubChem (CID 116614614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).