N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C13H29Cl2N3O — CID 119828479

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCN(C)CC(C)(C)CNC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-13(2,10-16(3)4)9-15-12(17)8-11-6-5-7-14-11;;/h11,14H,5-10H2,1-4H3,(H,15,17);2*1H
InChIKeyIEMDOQUMKAZOEA-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.68
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119828479) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119828479
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCN(C)CC(C)(C)CNC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-13(2,10-16(3)4)9-15-12(17)8-11-6-5-7-14-11;;/h11,14H,5-10H2,1-4H3,(H,15,17);2*1H
InChIKeyIEMDOQUMKAZOEA-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-N-(2,2,4-trimethylpentyl)acetamide
CID 115160242
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpiperidine-2-carboxamide
CID 62340118
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
N-(2-ethyl-2-methylsulfanylbutyl)-2-pyrrolidin-2-ylacetamide
CID 103812569
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291855
N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119733957
N-[2-(ethylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689765
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119737430
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-[2-methyl-2-(4-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119775261
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
CID 65285697

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119828479) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CN(C)CC(C)(C)CNC(=O)CC1CCCN1.Cl.Cl.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is IEMDOQUMKAZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-13(2,10-16(3)4)9-15-12(17)8-11-6-5-7-14-11;;/h11,14H,5-10H2,1-4H3,(H,15,17);2*1H.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).