1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine

C7H15N — CID 12637701

IUPAC1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine
SMILES[2H]CC1CC(C)(C)CN1[2H]
InChIInChI=1S/C7H15N/c1-6-4-7(2,3)5-8-6/h6,8H,4-5H2,1-3H3/i1D/hD
InChIKeyDMLFUWCXZHZERA-PFUFQJKNSA-N
MW115.22 g/mol
LogP1.39
Rot. Bonds1

About 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine

1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine (PubChem CID 12637701) has the molecular formula C7H15N and a molecular weight of 115.22 g/mol. Its IUPAC name is 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine.

Molecular Properties

Compound Name1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine
PubChem CID12637701
Molecular FormulaC7H15N
Molecular Weight115.22 g/mol
Exact Mass115.13
IUPAC Name1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine
SMILES[2H]CC1CC(C)(C)CN1[2H]
InChIInChI=1S/C7H15N/c1-6-4-7(2,3)5-8-6/h6,8H,4-5H2,1-3H3/i1D/hD
InChIKeyDMLFUWCXZHZERA-PFUFQJKNSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;propane;2,4,4-trimethylpyrrolidine
CID 144594134
2-iodo-4,4-dimethylpyrrolidine
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CID 143391707
2-cyclopentyl-4,4-dimethylpyrrolidine
CID 138485504
6,6-dimethylazepan-4-amine
CID 123426306
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CID 160943515
3,3,5,7,9,9-hexamethyl-6-propan-2-ylazecane
CID 174319212
2,2,4,4,7,7-hexamethylazocan-5-amine
CID 130312303
(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
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CID 149208291
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CID 7154578
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CID 71520340

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine?
The IUPAC name of 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine (CID 12637701) is 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine.
What is the SMILES notation for 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine?
The canonical SMILES for 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine is [2H]CC1CC(C)(C)CN1[2H].
What is the InChIKey of 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine?
The InChIKey is DMLFUWCXZHZERA-PFUFQJKNSA-N. The full InChI is InChI=1S/C7H15N/c1-6-4-7(2,3)5-8-6/h6,8H,4-5H2,1-3H3/i1D/hD.
What are the key properties of 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine?
1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine has a molecular weight of 115.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-(deuteriomethyl)-4,4-dimethylpyrrolidine is sourced from PubChem (CID 12637701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).