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

C14H20N2O2 — CID 115118961

IUPACN-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc2c(cc1CN(C)C1CCNC1)OCO2
InChIInChI=1S/C14H20N2O2/c1-10-5-13-14(18-9-17-13)6-11(10)8-16(2)12-3-4-15-7-12/h5-6,12,15H,3-4,7-9H2,1-2H3
InChIKeyLGAGMIMJLPXIBN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds3

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

N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 115118961) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID115118961
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc2c(cc1CN(C)C1CCNC1)OCO2
InChIInChI=1S/C14H20N2O2/c1-10-5-13-14(18-9-17-13)6-11(10)8-16(2)12-3-4-15-7-12/h5-6,12,15H,3-4,7-9H2,1-2H3
InChIKeyLGAGMIMJLPXIBN-UHFFFAOYSA-N
XLogP1.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
CID 115119146
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115118911
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913450
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine (CID 115118961) is N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine is Cc1cc2c(cc1CN(C)C1CCNC1)OCO2.
What is the InChIKey of N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LGAGMIMJLPXIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-13-14(18-9-17-13)6-11(10)8-16(2)12-3-4-15-7-12/h5-6,12,15H,3-4,7-9H2,1-2H3.
What are the key properties of N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine?
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 248.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115118961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).