8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine

C15H24N2O2 — CID 43570602

IUPAC8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCCC(CC)N(C)Cc1cc(N)cc2c1OCOC2
InChIInChI=1S/C15H24N2O2/c1-4-14(5-2)17(3)8-11-6-13(16)7-12-9-18-10-19-15(11)12/h6-7,14H,4-5,8-10,16H2,1-3H3
InChIKeyXPSRZAHVSIVKSY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.76
Rot. Bonds5

About 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine

8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine (PubChem CID 43570602) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine.

Molecular Properties

Compound Name8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine
PubChem CID43570602
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCCC(CC)N(C)Cc1cc(N)cc2c1OCOC2
InChIInChI=1S/C15H24N2O2/c1-4-14(5-2)17(3)8-11-6-13(16)7-12-9-18-10-19-15(11)12/h6-7,14H,4-5,8-10,16H2,1-3H3
InChIKeyXPSRZAHVSIVKSY-UHFFFAOYSA-N
XLogP2.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The IUPAC name of 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine (CID 43570602) is 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine.
What is the SMILES notation for 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The canonical SMILES for 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine is CCC(CC)N(C)Cc1cc(N)cc2c1OCOC2.
What is the InChIKey of 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The InChIKey is XPSRZAHVSIVKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-14(5-2)17(3)8-11-6-13(16)7-12-9-18-10-19-15(11)12/h6-7,14H,4-5,8-10,16H2,1-3H3.
What are the key properties of 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine has a molecular weight of 264.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methyl(pentan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine is sourced from PubChem (CID 43570602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).