1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide

C8H15NO — CID 118229864

IUPAC1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide
SMILES[2H]C1(C(=O)N(C)C)CC([2H])([2H])C([2H])([2H])C1
InChIInChI=1S/C8H15NO/c1-9(2)8(10)7-5-3-4-6-7/h7H,3-6H2,1-2H3/i3D2,4D2,7D
InChIKeyNSXBKGYIESEXDD-VWGKVMJISA-N
MW146.24 g/mol
LogP1.26
Rot. Bonds1

About 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide

1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 118229864) has the molecular formula C8H15NO and a molecular weight of 146.24 g/mol. Its IUPAC name is 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID118229864
Molecular FormulaC8H15NO
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide
SMILES[2H]C1(C(=O)N(C)C)CC([2H])([2H])C([2H])([2H])C1
InChIInChI=1S/C8H15NO/c1-9(2)8(10)7-5-3-4-6-7/h7H,3-6H2,1-2H3/i3D2,4D2,7D
InChIKeyNSXBKGYIESEXDD-VWGKVMJISA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98532778
(2R)-N,N-dimethylazetidine-2-carboxamide
CID 124537269
(1R,5R,6R,7S)-6-N,6-N,7-N,7-N-tetramethylbicyclo[3.2.2]nonane-6,7-dicarboxamide
CID 98525013
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
N,N,2-trimethyl-1,2-oxazolidine-5-carboxamide
CID 156736898
1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide
CID 118262712
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
CID 158969228
N,N,3,3-tetramethylcyclobutane-1-carboxamide
CID 45123501
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide (CID 118229864) is 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide is [2H]C1(C(=O)N(C)C)CC([2H])([2H])C([2H])([2H])C1.
What is the InChIKey of 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is NSXBKGYIESEXDD-VWGKVMJISA-N. The full InChI is InChI=1S/C8H15NO/c1-9(2)8(10)7-5-3-4-6-7/h7H,3-6H2,1-2H3/i3D2,4D2,7D.
What are the key properties of 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide?
1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 146.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 118229864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).