N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C12H27Cl2N3O — CID 119826503

IUPACN-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(4-2)9-8-14-12(16)10-11-6-5-7-13-11;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H
InChIKeyHEKPAVBNYVBUBE-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.43
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119826503) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119826503
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC NameN-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(4-2)9-8-14-12(16)10-11-6-5-7-13-11;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H
InChIKeyHEKPAVBNYVBUBE-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-[2-(ethylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689765
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119728947
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
N-[2-(dimethylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106337483
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119826503) is N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CCN(CC)CCNC(=O)CC1CCCN1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is HEKPAVBNYVBUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-3-15(4-2)9-8-14-12(16)10-11-6-5-7-13-11;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H.
What are the key properties of N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119826503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).