2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine

C11H17N — CID 177293620

IUPAC2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine
SMILES[2H]C([2H])(c1cc(C)ccn1)C(C)(C)C
InChIInChI=1S/C11H17N/c1-9-5-6-12-10(7-9)8-11(2,3)4/h5-7H,8H2,1-4H3/i8D2
InChIKeyHQKOIZYEJUROLA-MGVXTIMCSA-N
MW165.28 g/mol
LogP2.98
Rot. Bonds1

About 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine

2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine (PubChem CID 177293620) has the molecular formula C11H17N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine
PubChem CID177293620
Molecular FormulaC11H17N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine
SMILES[2H]C([2H])(c1cc(C)ccn1)C(C)(C)C
InChIInChI=1S/C11H17N/c1-9-5-6-12-10(7-9)8-11(2,3)4/h5-7H,8H2,1-4H3/i8D2
InChIKeyHQKOIZYEJUROLA-MGVXTIMCSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
trimethyl-[(4-methyl-2-pyridinyl)methyl]silane
CID 45117498
(4-methyl-2-pyridinyl)methanol;hydrobromide
CID 133055836
4-methyl-2-[(E)-pent-3-enyl]pyridine
CID 19593487
2-(4-methyl-2-pyridinyl)acetonitrile
CID 12812206
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929
N-ethylethanamine;2-(4-methyl-2-pyridinyl)ethanol
CID 18799998
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234
5-(4-methyl-2-pyridinyl)pentan-2-one
CID 15654481
4,4-dimethyl-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 63840384
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
2-(3,3-dimethylbutan-2-yl)-4-methylpyridine
CID 170214130

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine?
The IUPAC name of 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine (CID 177293620) is 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine.
What is the SMILES notation for 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine?
The canonical SMILES for 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine is [2H]C([2H])(c1cc(C)ccn1)C(C)(C)C.
What is the InChIKey of 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine?
The InChIKey is HQKOIZYEJUROLA-MGVXTIMCSA-N. The full InChI is InChI=1S/C11H17N/c1-9-5-6-12-10(7-9)8-11(2,3)4/h5-7H,8H2,1-4H3/i8D2.
What are the key properties of 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine?
2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine has a molecular weight of 165.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine is sourced from PubChem (CID 177293620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).