2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine

C15H19N3O2 — CID 82763817

IUPAC2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCC1N
InChIInChI=1S/C15H19N3O2/c1-15(4-2-3-13(15)16)14-17-9-7-11-12(8-10(9)18-14)20-6-5-19-11/h7-8,13H,2-6,16H2,1H3,(H,17,18)
InChIKeyOYDMZZIRVDNOJC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.10
Rot. Bonds1

About 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 82763817) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine
PubChem CID82763817
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCC1N
InChIInChI=1S/C15H19N3O2/c1-15(4-2-3-13(15)16)14-17-9-7-11-12(8-10(9)18-14)20-6-5-19-11/h7-8,13H,2-6,16H2,1H3,(H,17,18)
InChIKeyOYDMZZIRVDNOJC-UHFFFAOYSA-N
XLogP2.10
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine (CID 82763817) is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine is CC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCC1N.
What is the InChIKey of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is OYDMZZIRVDNOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(4-2-3-13(15)16)14-17-9-7-11-12(8-10(9)18-14)20-6-5-19-11/h7-8,13H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine?
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82763817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).