N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine

C10H14N2O2 — CID 115225852

IUPACN'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
SMILESCN(CN)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H14N2O2/c1-12(6-11)5-8-2-3-9-10(4-8)14-7-13-9/h2-4H,5-7,11H2,1H3
InChIKeyYOWSMWXWMSKQKU-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.76
Rot. Bonds3

About N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine

N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine (PubChem CID 115225852) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
PubChem CID115225852
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
SMILESCN(CN)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H14N2O2/c1-12(6-11)5-8-2-3-9-10(4-8)14-7-13-9/h2-4H,5-7,11H2,1H3
InChIKeyYOWSMWXWMSKQKU-UHFFFAOYSA-N
XLogP0.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134817
N'-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202020
3-amino-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid
CID 115241750
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylmethanamine
CID 47010663
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl]methanesulfonamide
CID 47395008
3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 34549500
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine?
The IUPAC name of N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine (CID 115225852) is N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine is CN(CN)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine?
The InChIKey is YOWSMWXWMSKQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(6-11)5-8-2-3-9-10(4-8)14-7-13-9/h2-4H,5-7,11H2,1H3.
What are the key properties of N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine?
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine has a molecular weight of 194.23 g/mol, XLogP of 0.76, 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)-N'-methylmethanediamine is sourced from PubChem (CID 115225852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).