1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine

C16H25N3O2 — CID 63163903

IUPAC1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCNC(CN1CCC(N(C)C)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H25N3O2/c1-17-14(10-19-7-6-13(9-19)18(2)3)12-4-5-15-16(8-12)21-11-20-15/h4-5,8,13-14,17H,6-7,9-11H2,1-3H3
InChIKeyTZTJTXWXJCXMCG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63163903) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63163903
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCNC(CN1CCC(N(C)C)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H25N3O2/c1-17-14(10-19-7-6-13(9-19)18(2)3)12-4-5-15-16(8-12)21-11-20-15/h4-5,8,13-14,17H,6-7,9-11H2,1-3H3
InChIKeyTZTJTXWXJCXMCG-UHFFFAOYSA-N
XLogP1.31
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-(1,3-benzodioxol-5-yl)-N'-(cyclopentylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 63631410
1-(1,3-benzodioxol-5-yl)-2-chloro-N-methylethanamine
CID 116952586
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
5-(1,3-benzodioxol-5-yl)-5-(methylamino)pentan-2-one
CID 116956150
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
1-(1,3-benzodioxol-5-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064188
(3S)-1-[(2S)-2-(4-aminophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
CID 22862233
1-(1,3-benzodioxol-5-yl)-N-methyl-2-propylsulfanylethanamine
CID 64615340
1-(1,3-benzodioxol-5-yl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63163903) is 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine is CNC(CN1CCC(N(C)C)C1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is TZTJTXWXJCXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-14(10-19-7-6-13(9-19)18(2)3)12-4-5-15-16(8-12)21-11-20-15/h4-5,8,13-14,17H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 291.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63163903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).