6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one

C13H24N2O — CID 114409199

IUPAC6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCC1=CCN(C(=O)CCC(C)CCN)CC1
InChIInChI=1S/C13H24N2O/c1-11(5-8-14)3-4-13(16)15-9-6-12(2)7-10-15/h6,11H,3-5,7-10,14H2,1-2H3
InChIKeyKWKZLUDKZNYJOT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.93
Rot. Bonds5

About 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one

6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (PubChem CID 114409199) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
PubChem CID114409199
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCC1=CCN(C(=O)CCC(C)CCN)CC1
InChIInChI=1S/C13H24N2O/c1-11(5-8-14)3-4-13(16)15-9-6-12(2)7-10-15/h6,11H,3-5,7-10,14H2,1-2H3
InChIKeyKWKZLUDKZNYJOT-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (CID 114409199) is 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is CC1=CCN(C(=O)CCC(C)CCN)CC1.
What is the InChIKey of 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The InChIKey is KWKZLUDKZNYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(5-8-14)3-4-13(16)15-9-6-12(2)7-10-15/h6,11H,3-5,7-10,14H2,1-2H3.
What are the key properties of 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is sourced from PubChem (CID 114409199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).