5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine

C11H14N2O2 — CID 163675231

IUPAC5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine
SMILESCC1(c2ccc3c(c2)OC(N)(N)O3)CC1
InChIInChI=1S/C11H14N2O2/c1-10(4-5-10)7-2-3-8-9(6-7)15-11(12,13)14-8/h2-3,6H,4-5,12-13H2,1H3
InChIKeyJGCMSUKUZVYFOY-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.04
Rot. Bonds1

About 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine

5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine (PubChem CID 163675231) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine
PubChem CID163675231
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine
SMILESCC1(c2ccc3c(c2)OC(N)(N)O3)CC1
InChIInChI=1S/C11H14N2O2/c1-10(4-5-10)7-2-3-8-9(6-7)15-11(12,13)14-8/h2-3,6H,4-5,12-13H2,1H3
InChIKeyJGCMSUKUZVYFOY-UHFFFAOYSA-N
XLogP1.04
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.04
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

Safrole
CID 5144
Dihydrosafrole
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5-(4,4-Dimethylhex-5-en-1-yl)-2H-1,3-benzodioxole
CID 71361317
5-(1,1-Dimethylethyl)-1,3-benzodioxole
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5-Cyclopropyl-1,3-benzodioxole
CID 16205050
5-[(E)-oct-2-enyl]-1,3-benzodioxole
CID 45934465
2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole
CID 124304
2-Methyl-5-tert-butyl-1,3-benzodioxole
CID 135113
1-(2,2-Difluorobenzo[D][1,3]dioxol-5-YL)cyclopropanecarbonitrile
CID 57446150
[1-(1,3-Benzodioxol-5-yl)ethylidene]malononitrile
CID 746461

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine?
The IUPAC name of 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine (CID 163675231) is 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine.
What is the SMILES notation for 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine?
The canonical SMILES for 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine is CC1(c2ccc3c(c2)OC(N)(N)O3)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine?
The InChIKey is JGCMSUKUZVYFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-10(4-5-10)7-2-3-8-9(6-7)15-11(12,13)14-8/h2-3,6H,4-5,12-13H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine?
5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine has a molecular weight of 206.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-1,3-benzodioxole-2,2-diamine is sourced from PubChem (CID 163675231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).