N-butan-2-yl-1,3-benzodioxol-2-amine

C11H15NO2 — CID 167434503

IUPACN-butan-2-yl-1,3-benzodioxol-2-amine
SMILESCCC(C)NC1Oc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8,11-12H,3H2,1-2H3
InChIKeyWZZJPWGFCUFJME-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.13
Rot. Bonds3

About N-butan-2-yl-1,3-benzodioxol-2-amine

N-butan-2-yl-1,3-benzodioxol-2-amine (PubChem CID 167434503) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-butan-2-yl-1,3-benzodioxol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-1,3-benzodioxol-2-amine
PubChem CID167434503
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-butan-2-yl-1,3-benzodioxol-2-amine
SMILESCCC(C)NC1Oc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8,11-12H,3H2,1-2H3
InChIKeyWZZJPWGFCUFJME-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,3-benzodioxol-2-amine?
The IUPAC name of N-butan-2-yl-1,3-benzodioxol-2-amine (CID 167434503) is N-butan-2-yl-1,3-benzodioxol-2-amine.
What is the SMILES notation for N-butan-2-yl-1,3-benzodioxol-2-amine?
The canonical SMILES for N-butan-2-yl-1,3-benzodioxol-2-amine is CCC(C)NC1Oc2ccccc2O1.
What is the InChIKey of N-butan-2-yl-1,3-benzodioxol-2-amine?
The InChIKey is WZZJPWGFCUFJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8,11-12H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-1,3-benzodioxol-2-amine?
N-butan-2-yl-1,3-benzodioxol-2-amine has a molecular weight of 193.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,3-benzodioxol-2-amine is sourced from PubChem (CID 167434503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).