N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 67217657

IUPACN,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCNCc1ccc(CN2CCC(C(=O)N(C)C)C2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-17-10-13-4-6-14(7-5-13)11-19-9-8-15(12-19)16(20)18(2)3;;/h4-7,15,17H,8-12H2,1-3H3;2*1H
InChIKeyITHOMEHDSVMOJM-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.16
Rot. Bonds5

About N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride

N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 67217657) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID67217657
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC NameN,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCNCc1ccc(CN2CCC(C(=O)N(C)C)C2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-17-10-13-4-6-14(7-5-13)11-19-9-8-15(12-19)16(20)18(2)3;;/h4-7,15,17H,8-12H2,1-3H3;2*1H
InChIKeyITHOMEHDSVMOJM-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(dicarbamoylamino) 1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxylate;hydrochloride
CID 87359152
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
tert-butyl N-[[4-[[(3S)-3-(dimethylcarbamoyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
CID 124565876
N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110244182
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730681
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]propan-1-one
CID 83980778
methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 67217657) is N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride is CNCc1ccc(CN2CCC(C(=O)N(C)C)C2)cc1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is ITHOMEHDSVMOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-17-10-13-4-6-14(7-5-13)11-19-9-8-15(12-19)16(20)18(2)3;;/h4-7,15,17H,8-12H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 67217657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).