2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one

C14H28N2O2 — CID 170194550

IUPAC2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)OCN[C@@H]1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)12(17)16-8-7-11(9-16)15-10-18-14(4,5)6/h11,15H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyDVADORCIENZCNL-LLVKDONJSA-N
MW256.39 g/mol
LogP2.00
Rot. Bonds3

About 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one (PubChem CID 170194550) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one
PubChem CID170194550
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)OCN[C@@H]1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)12(17)16-8-7-11(9-16)15-10-18-14(4,5)6/h11,15H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyDVADORCIENZCNL-LLVKDONJSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995807
1-[3-(tert-butylamino)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 164785489
tert-butyl 3-[(2,2-dimethylcyclopropyl)methylamino]pyrrolidine-1-carboxylate
CID 103802015
tert-butyl 3-[(2-fluoro-2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 84710216
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
CID 103801756

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one (CID 170194550) is 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one is CC(C)(C)OCN[C@@H]1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is DVADORCIENZCNL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)12(17)16-8-7-11(9-16)15-10-18-14(4,5)6/h11,15H,7-10H2,1-6H3/t11-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 256.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 170194550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).