N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine

C15H22N2O2 — CID 115119146

IUPACN-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCc1cc2c(cc1CCN(C)C1CCNC1)OCO2
InChIInChI=1S/C15H22N2O2/c1-11-7-14-15(19-10-18-14)8-12(11)4-6-17(2)13-3-5-16-9-13/h7-8,13,16H,3-6,9-10H2,1-2H3
InChIKeyLEWJMDXHQVOVJD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.56
Rot. Bonds4

About N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine

N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine (PubChem CID 115119146) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
PubChem CID115119146
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCc1cc2c(cc1CCN(C)C1CCNC1)OCO2
InChIInChI=1S/C15H22N2O2/c1-11-7-14-15(19-10-18-14)8-12(11)4-6-17(2)13-3-5-16-9-13/h7-8,13,16H,3-6,9-10H2,1-2H3
InChIKeyLEWJMDXHQVOVJD-UHFFFAOYSA-N
XLogP1.56
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methylazetidin-3-amine
CID 117040773
N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
CID 117040756
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-2-amine
CID 117044240
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 170865570
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115118911
3-chloro-N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-1-amine
CID 115215983
N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 120999726
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine (CID 115119146) is N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine is Cc1cc2c(cc1CCN(C)C1CCNC1)OCO2.
What is the InChIKey of N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is LEWJMDXHQVOVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-14-15(19-10-18-14)8-12(11)4-6-17(2)13-3-5-16-9-13/h7-8,13,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine?
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 262.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115119146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).