5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one

C11H18N2O — CID 130857100

IUPAC5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc([C@H](N)C(C)(C)C)c[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-7-5-8(6-13-10(7)14)9(12)11(2,3)4/h5-6,9H,12H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyPPDHXOLQOCBJNW-VIFPVBQESA-N
MW194.28 g/mol
LogP1.73
Rot. Bonds1

About 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one

5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one (PubChem CID 130857100) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one
PubChem CID130857100
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc([C@H](N)C(C)(C)C)c[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-7-5-8(6-13-10(7)14)9(12)11(2,3)4/h5-6,9H,12H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyPPDHXOLQOCBJNW-VIFPVBQESA-N
XLogP1.73
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,2-diaminoethyl)-3-methyl-1H-pyridin-2-one
CID 55293763
5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
CID 55293497
5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
CID 130614731
3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
CID 130649424
5-amino-3-methyl-1H-pyridin-2-one
CID 62475744
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-dimethylphenol;hydrochloride
CID 171241360
5-cyclopropyl-3-methyl-1H-pyridin-2-one
CID 83131325
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709
4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 169246666

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one (CID 130857100) is 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one is Cc1cc([C@H](N)C(C)(C)C)c[nH]c1=O.
What is the InChIKey of 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is PPDHXOLQOCBJNW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-5-8(6-13-10(7)14)9(12)11(2,3)4/h5-6,9H,12H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one?
5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130857100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).