2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine

C15H21N3O2 — CID 82145607

IUPAC2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
SMILESCC(CN)n1c(C(C)(C)C)nc2cc3c(cc21)OCO3
InChIInChI=1S/C15H21N3O2/c1-9(7-16)18-11-6-13-12(19-8-20-13)5-10(11)17-14(18)15(2,3)4/h5-6,9H,7-8,16H2,1-4H3
InChIKeyZTMJPLWMSVUQRG-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.58
Rot. Bonds2

About 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine

2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine (PubChem CID 82145607) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
PubChem CID82145607
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
SMILESCC(CN)n1c(C(C)(C)C)nc2cc3c(cc21)OCO3
InChIInChI=1S/C15H21N3O2/c1-9(7-16)18-11-6-13-12(19-8-20-13)5-10(11)17-14(18)15(2,3)4/h5-6,9H,7-8,16H2,1-4H3
InChIKeyZTMJPLWMSVUQRG-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145633
2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 82145734
2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145670
2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 82145714
2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine
CID 84638618
[4-[(6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]phenyl]methanamine
CID 82150145
2-methyl-1-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propan-2-amine
CID 84617348
2-methyl-2-[6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propanoic acid
CID 94748801
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
4-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butan-1-amine
CID 82145615
3-(6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propanethioamide
CID 82149870
3-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propan-1-ol
CID 84617351

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The IUPAC name of 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine (CID 82145607) is 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine.
What is the SMILES notation for 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The canonical SMILES for 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine is CC(CN)n1c(C(C)(C)C)nc2cc3c(cc21)OCO3.
What is the InChIKey of 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The InChIKey is ZTMJPLWMSVUQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(7-16)18-11-6-13-12(19-8-20-13)5-10(11)17-14(18)15(2,3)4/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine is sourced from PubChem (CID 82145607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).