1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine

C10H15N3O2 — CID 116914858

IUPAC1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine
SMILESCN(C)C(NN)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H15N3O2/c1-13(2)10(12-11)7-3-4-8-9(5-7)15-6-14-8/h3-5,10,12H,6,11H2,1-2H3
InChIKeyCOLHFDWLIHGFPB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.44
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine

1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine (PubChem CID 116914858) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine
PubChem CID116914858
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine
SMILESCN(C)C(NN)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H15N3O2/c1-13(2)10(12-11)7-3-4-8-9(5-7)15-6-14-8/h3-5,10,12H,6,11H2,1-2H3
InChIKeyCOLHFDWLIHGFPB-UHFFFAOYSA-N
XLogP0.44
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid
CID 82126728
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
3-[1,3-benzodioxol-5-yl(dimethylamino)methyl]cyclobutan-1-amine
CID 116907290
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353
1-(1,3-benzodioxol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948054
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
1,3-benzodioxol-5-yl(trimethylsilyl)methanol
CID 12705761
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine (CID 116914858) is 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine is CN(C)C(NN)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine?
The InChIKey is COLHFDWLIHGFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(2)10(12-11)7-3-4-8-9(5-7)15-6-14-8/h3-5,10,12H,6,11H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine?
1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine has a molecular weight of 209.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine is sourced from PubChem (CID 116914858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).