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

C12H22N2O — CID 114409348

IUPAC4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC1=CCN(C(=O)CCC(C)(C)N)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-8-14(9-6-10)11(15)4-7-12(2,3)13/h5H,4,6-9,13H2,1-3H3
InChIKeyIPTGQQUWMTWIDZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds3

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

4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (PubChem CID 114409348) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
PubChem CID114409348
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC1=CCN(C(=O)CCC(C)(C)N)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-8-14(9-6-10)11(15)4-7-12(2,3)13/h5H,4,6-9,13H2,1-3H3
InChIKeyIPTGQQUWMTWIDZ-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Diethylamino-2,6-dimethylphenylacetamide
CID 177806897
4-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591627
2-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591630
4-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 114489842
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
CID 59029738
N-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
CID 59029739
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
CID 90859499
2-methyl-N-(4-methylpent-3-en-2-yl)pentanamide
CID 91297383
1,4-Di(propan-2-yl)-2,5-dihydropyridin-6-one
CID 118243204
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 121450228
4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 121451635
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-(dimethylamino)butan-1-one
CID 137516572

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (CID 114409348) is 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is CC1=CCN(C(=O)CCC(C)(C)N)CC1.
What is the InChIKey of 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The InChIKey is IPTGQQUWMTWIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-5-8-14(9-6-10)11(15)4-7-12(2,3)13/h5H,4,6-9,13H2,1-3H3.
What are the key properties of 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 114409348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).