N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine

C14H20N2O2 — CID 81300420

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCc2ccc3c(c2)OCO3)CN1C
InChIInChI=1S/C14H20N2O2/c1-10-5-12(8-16(10)2)15-7-11-3-4-13-14(6-11)18-9-17-13/h3-4,6,10,12,15H,5,7-9H2,1-2H3
InChIKeyPNJWHMZAVAIWRO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine

N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81300420) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81300420
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCc2ccc3c(c2)OCO3)CN1C
InChIInChI=1S/C14H20N2O2/c1-10-5-12(8-16(10)2)15-7-11-3-4-13-14(6-11)18-9-17-13/h3-4,6,10,12,15H,5,7-9H2,1-2H3
InChIKeyPNJWHMZAVAIWRO-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115688251
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301541
(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 97321684
[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
CID 107230022
(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine
CID 125433840
1,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-amine
CID 115726418
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501654
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81338197
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
3-[2-(1,3-benzodioxol-5-yl)ethyl]-8-methyl-3-azabicyclo[3.2.1]octane
CID 68972233
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81295796

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine (CID 81300420) is N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(NCc2ccc3c(c2)OCO3)CN1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is PNJWHMZAVAIWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-12(8-16(10)2)15-7-11-3-4-13-14(6-11)18-9-17-13/h3-4,6,10,12,15H,5,7-9H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine?
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 248.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81300420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).