2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine

C17H25N3O3 — CID 94748598

IUPAC2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine
SMILESCCC(CC)c1nc2cc3c(cc2n1CCOCCN)OCO3
InChIInChI=1S/C17H25N3O3/c1-3-12(4-2)17-19-13-9-15-16(23-11-22-15)10-14(13)20(17)6-8-21-7-5-18/h9-10,12H,3-8,11,18H2,1-2H3
InChIKeyGUXZURVIJQPNCJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.64
Rot. Bonds8

About 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine

2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine (PubChem CID 94748598) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine
PubChem CID94748598
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine
SMILESCCC(CC)c1nc2cc3c(cc2n1CCOCCN)OCO3
InChIInChI=1S/C17H25N3O3/c1-3-12(4-2)17-19-13-9-15-16(23-11-22-15)10-14(13)20(17)6-8-21-7-5-18/h9-10,12H,3-8,11,18H2,1-2H3
InChIKeyGUXZURVIJQPNCJ-UHFFFAOYSA-N
XLogP2.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butan-1-amine
CID 82145615
2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94749356
3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149592
2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetonitrile
CID 39158205
2-[2-[2-(2-methylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethoxy]ethanamine
CID 94748968
2-[2-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]ethoxy]ethanamine
CID 84615016
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837
3-(6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propanethioamide
CID 82149870
3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
CID 94749172
1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145845
[4-[(6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]phenyl]methanamine
CID 82150145
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine (CID 94748598) is 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine is CCC(CC)c1nc2cc3c(cc2n1CCOCCN)OCO3.
What is the InChIKey of 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine?
The InChIKey is GUXZURVIJQPNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-12(4-2)17-19-13-9-15-16(23-11-22-15)10-14(13)20(17)6-8-21-7-5-18/h9-10,12H,3-8,11,18H2,1-2H3.
What are the key properties of 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine?
2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine has a molecular weight of 319.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine is sourced from PubChem (CID 94748598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).