2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

C15H21N3O3 — CID 115486420

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC1CC(CN)CN1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21N3O3/c1-10-4-11(6-16)7-18(10)8-15(19)17-12-2-3-13-14(5-12)21-9-20-13/h2-3,5,10-11H,4,6-9,16H2,1H3,(H,17,19)
InChIKeyILJSUGINAUJSJY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.02
Rot. Bonds4

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 115486420) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID115486420
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC1CC(CN)CN1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21N3O3/c1-10-4-11(6-16)7-18(10)8-15(19)17-12-2-3-13-14(5-12)21-9-20-13/h2-3,5,10-11H,4,6-9,16H2,1H3,(H,17,19)
InChIKeyILJSUGINAUJSJY-UHFFFAOYSA-N
XLogP1.02
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-bromophenyl)acetamide
CID 115486110
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-(4-amino-3-methylpiperidin-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 79874642
N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 43013017
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 120728107
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 115486329
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 115486277
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 115486080

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (CID 115486420) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is CC1CC(CN)CN1CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is ILJSUGINAUJSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-11(6-16)7-18(10)8-15(19)17-12-2-3-13-14(5-12)21-9-20-13/h2-3,5,10-11H,4,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 115486420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).