2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine

C17H23N3O2 — CID 82145885

IUPAC2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
SMILESNCCn1c(C2CCCCC2)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C17H23N3O2/c18-6-7-20-14-11-16-15(21-8-9-22-16)10-13(14)19-17(20)12-4-2-1-3-5-12/h10-12H,1-9,18H2
InChIKeyZTKZYWPAJBLOEN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.81
Rot. Bonds3

About 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine

2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine (PubChem CID 82145885) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
PubChem CID82145885
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
SMILESNCCn1c(C2CCCCC2)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C17H23N3O2/c18-6-7-20-14-11-16-15(21-8-9-22-16)10-13(14)19-17(20)12-4-2-1-3-5-12/h10-12H,1-9,18H2
InChIKeyZTKZYWPAJBLOEN-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
The IUPAC name of 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine (CID 82145885) is 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine is NCCn1c(C2CCCCC2)nc2cc3c(cc21)OCCO3.
What is the InChIKey of 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
The InChIKey is ZTKZYWPAJBLOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-6-7-20-14-11-16-15(21-8-9-22-16)10-13(14)19-17(20)12-4-2-1-3-5-12/h10-12H,1-9,18H2.
What are the key properties of 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine has a molecular weight of 301.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine is sourced from PubChem (CID 82145885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).