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

C17H25N3O2 — CID 82145833

IUPAC1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
SMILESCCCCc1nc2cc3c(cc2n1CC(N)CC)OCCO3
InChIInChI=1S/C17H25N3O2/c1-3-5-6-17-19-13-9-15-16(22-8-7-21-15)10-14(13)20(17)11-12(18)4-2/h9-10,12H,3-8,11,18H2,1-2H3
InChIKeyXGNVONWNRVTZIZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.89
Rot. Bonds6

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

1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (PubChem CID 82145833) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
PubChem CID82145833
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
SMILESCCCCc1nc2cc3c(cc2n1CC(N)CC)OCCO3
InChIInChI=1S/C17H25N3O2/c1-3-5-6-17-19-13-9-15-16(22-8-7-21-15)10-14(13)20(17)11-12(18)4-2/h9-10,12H,3-8,11,18H2,1-2H3
InChIKeyXGNVONWNRVTZIZ-UHFFFAOYSA-N
XLogP2.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The IUPAC name of 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (CID 82145833) is 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is CCCCc1nc2cc3c(cc2n1CC(N)CC)OCCO3.
What is the InChIKey of 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The InChIKey is XGNVONWNRVTZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-5-6-17-19-13-9-15-16(22-8-7-21-15)10-14(13)20(17)11-12(18)4-2/h9-10,12H,3-8,11,18H2,1-2H3.
What are the key properties of 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is sourced from PubChem (CID 82145833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).