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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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).