1,4-dimethyl-2,2,6,6-tetratritiopiperidine

C7H15N — CID 58700170

IUPAC1,4-dimethyl-2,2,6,6-tetratritiopiperidine
SMILES[3H]C1([3H])CC(C)CC([3H])([3H])N1C
InChIInChI=1S/C7H15N/c1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3/i5T2,6T2
InChIKeyTVSMLBGFGKLKOO-ANIAUBKNSA-N
MW121.24 g/mol
LogP1.35
Rot. Bonds

About 1,4-dimethyl-2,2,6,6-tetratritiopiperidine

1,4-dimethyl-2,2,6,6-tetratritiopiperidine (PubChem CID 58700170) has the molecular formula C7H15N and a molecular weight of 121.24 g/mol. Its IUPAC name is 1,4-dimethyl-2,2,6,6-tetratritiopiperidine.

Molecular Properties

Compound Name1,4-dimethyl-2,2,6,6-tetratritiopiperidine
PubChem CID58700170
Molecular FormulaC7H15N
Molecular Weight121.24 g/mol
Exact Mass121.15
IUPAC Name1,4-dimethyl-2,2,6,6-tetratritiopiperidine
SMILES[3H]C1([3H])CC(C)CC([3H])([3H])N1C
InChIInChI=1S/C7H15N/c1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3/i5T2,6T2
InChIKeyTVSMLBGFGKLKOO-ANIAUBKNSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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bis(1,4-dimethylcyclohexane);methane
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N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
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cyclopentane;ethane;methylcyclohexane;1-methylpiperidine
CID 167573510
(3R)-1,3-dimethylpyrrolidine
CID 58412242
1,4-dimethyl-azacycloundecane
CID 89347639
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
1,4-dimethylcyclohexane;methanol
CID 70358527
1,5,9,13,17,21-hexamethylcyclotetracosane
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methylcyclopentane
CID 7296
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,2,6,6-tetratritiopiperidine?
The IUPAC name of 1,4-dimethyl-2,2,6,6-tetratritiopiperidine (CID 58700170) is 1,4-dimethyl-2,2,6,6-tetratritiopiperidine.
What is the SMILES notation for 1,4-dimethyl-2,2,6,6-tetratritiopiperidine?
The canonical SMILES for 1,4-dimethyl-2,2,6,6-tetratritiopiperidine is [3H]C1([3H])CC(C)CC([3H])([3H])N1C.
What is the InChIKey of 1,4-dimethyl-2,2,6,6-tetratritiopiperidine?
The InChIKey is TVSMLBGFGKLKOO-ANIAUBKNSA-N. The full InChI is InChI=1S/C7H15N/c1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3/i5T2,6T2.
What are the key properties of 1,4-dimethyl-2,2,6,6-tetratritiopiperidine?
1,4-dimethyl-2,2,6,6-tetratritiopiperidine has a molecular weight of 121.24 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,2,6,6-tetratritiopiperidine is sourced from PubChem (CID 58700170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).