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

C14H19N3O2 — CID 65220910

IUPAC2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H19N3O2/c1-8(2)9(7-15)14-16-10-5-12-13(6-11(10)17-14)19-4-3-18-12/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyBMTRLHCYONEOJZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds3

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

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 65220910) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID65220910
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H19N3O2/c1-8(2)9(7-15)14-16-10-5-12-13(6-11(10)17-14)19-4-3-18-12/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyBMTRLHCYONEOJZ-UHFFFAOYSA-N
XLogP2.03
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
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)-3-methylbutan-1-amine?
The IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine (CID 65220910) is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is BMTRLHCYONEOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)9(7-15)14-16-10-5-12-13(6-11(10)17-14)19-4-3-18-12/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine?
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.03, 3 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)-3-methylbutan-1-amine is sourced from PubChem (CID 65220910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).