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

C12H22N2O — CID 114408800

IUPAC6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC=CCC1
InChIInChI=1S/C12H22N2O/c1-11(7-8-13)5-6-12(15)14-9-3-2-4-10-14/h2-3,11H,4-10,13H2,1H3
InChIKeyZIFZRDHSNYGLGJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.54
Rot. Bonds5

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

6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one (PubChem CID 114408800) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
PubChem CID114408800
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC=CCC1
InChIInChI=1S/C12H22N2O/c1-11(7-8-13)5-6-12(15)14-9-3-2-4-10-14/h2-3,11H,4-10,13H2,1H3
InChIKeyZIFZRDHSNYGLGJ-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.54
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-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one (CID 114408800) is 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one is CC(CCN)CCC(=O)N1CC=CCC1.
What is the InChIKey of 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
The InChIKey is ZIFZRDHSNYGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(7-8-13)5-6-12(15)14-9-3-2-4-10-14/h2-3,11H,4-10,13H2,1H3.
What are the key properties of 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one is sourced from PubChem (CID 114408800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).