N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine

C11H16N2O2 — CID 82492500

IUPACN'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H16N2O2/c1-12-5-6-13(2)9-3-4-10-11(7-9)15-8-14-10/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyVUHFGDPAOHSVFG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds4

About N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine

N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 82492500) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID82492500
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H16N2O2/c1-12-5-6-13(2)9-3-4-10-11(7-9)15-8-14-10/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyVUHFGDPAOHSVFG-UHFFFAOYSA-N
XLogP1.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[1,3-benzodioxol-5-yl(methyl)amino]ethanol
CID 82112129
N-(3-bromopropyl)-N-methyl-1,3-benzodioxol-5-amine
CID 68690964
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205692
N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
CID 121230567
5-methyl-7-[methyl-[2-(methylamino)ethyl]amino]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501361
N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
CID 110452723
N'-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202020
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
N-(1,3-benzodioxol-5-yl)-N-methylformamide
CID 10261671
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N',2-dimethylbutane-1,4-diamine
CID 115203053
[3-[methyl-[2-(methylamino)ethyl]amino]phenyl]methanol
CID 143612778

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine (CID 82492500) is N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VUHFGDPAOHSVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-5-6-13(2)9-3-4-10-11(7-9)15-8-14-10/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 208.26 g/mol, XLogP of 1.07, 4 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-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82492500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).