3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one

C15H24N2O2 — CID 116557113

IUPAC3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-6-7-15(4,16)13(18)8-12-11(3)14(19-5)10(2)9-17-12/h9H,6-8,16H2,1-5H3
InChIKeyLAYBQGWRJGJNIA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds6

About 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one

3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one (PubChem CID 116557113) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one.

Molecular Properties

Compound Name3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one
PubChem CID116557113
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-6-7-15(4,16)13(18)8-12-11(3)14(19-5)10(2)9-17-12/h9H,6-8,16H2,1-5H3
InChIKeyLAYBQGWRJGJNIA-UHFFFAOYSA-N
XLogP2.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-1-amine
CID 62725096
3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134
3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one
CID 116709812
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-methoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-2-amine
CID 62620926
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
CID 116551277
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one?
The IUPAC name of 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one (CID 116557113) is 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one.
What is the SMILES notation for 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one?
The canonical SMILES for 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one is CCCC(C)(N)C(=O)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one?
The InChIKey is LAYBQGWRJGJNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-7-15(4,16)13(18)8-12-11(3)14(19-5)10(2)9-17-12/h9H,6-8,16H2,1-5H3.
What are the key properties of 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one?
3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one is sourced from PubChem (CID 116557113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).