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

C16H23N3O2 — CID 82145845

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

1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (PubChem CID 82145845) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.

Molecular Properties

• Compound Name: 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
• PubChem CID: 82145845
• Molecular Formula: C16H23N3O2
• Molecular Weight: 289.38 g/mol
• Exact Mass: 289.18
• IUPAC Name: 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
• SMILES: CCC(N)Cn1c(C(C)C)nc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C16H23N3O2/c1-4-11(17)9-19-13-8-15-14(20-5-6-21-15)7-12(13)18-16(19)10(2)3/h7-8,10-11H,4-6,9,17H2,1-3H3
• InChIKey: JULXQICZJCPDTD-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.38
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?

The IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (CID 82145845) is 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.

What is the SMILES notation for 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?

The canonical SMILES for 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is CCC(N)Cn1c(C(C)C)nc2cc3c(cc21)OCCO3.

What is the InChIKey of 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?

The InChIKey is JULXQICZJCPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-11(17)9-19-13-8-15-14(20-5-6-21-15)7-12(13)18-16(19)10(2)3/h7-8,10-11H,4-6,9,17H2,1-3H3.

What are the key properties of 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?

1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is sourced from PubChem (CID 82145845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).