N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine

C10H14N2O2 — CID 116939392

IUPACN'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
SMILESCNC(N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C10H14N2O2/c1-6-3-8-9(14-5-13-8)4-7(6)10(11)12-2/h3-4,10,12H,5,11H2,1-2H3
InChIKeyNLTYNWXTJLJLDY-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.90
Rot. Bonds2

About N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine

N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine (PubChem CID 116939392) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine.

Molecular Properties

Compound NameN'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
PubChem CID116939392
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
SMILESCNC(N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C10H14N2O2/c1-6-3-8-9(14-5-13-8)4-7(6)10(11)12-2/h3-4,10,12H,5,11H2,1-2H3
InChIKeyNLTYNWXTJLJLDY-UHFFFAOYSA-N
XLogP0.90
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
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

amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 116850457
N,2-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116948789
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211
1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
CID 116830345
1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116950251
1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116905628
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
CID 116953026
N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116964754
1,3-diamino-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 116942599

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine?
The IUPAC name of N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine (CID 116939392) is N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine.
What is the SMILES notation for N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine?
The canonical SMILES for N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine is CNC(N)c1cc2c(cc1C)OCO2.
What is the InChIKey of N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine?
The InChIKey is NLTYNWXTJLJLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-3-8-9(14-5-13-8)4-7(6)10(11)12-2/h3-4,10,12H,5,11H2,1-2H3.
What are the key properties of N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine?
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine has a molecular weight of 194.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine is sourced from PubChem (CID 116939392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).