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

C14H17N3O2 — CID 82145633

IUPAC2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
SMILESCC(CN)n1c(C2CC2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C14H17N3O2/c1-8(6-15)17-11-5-13-12(18-7-19-13)4-10(11)16-14(17)9-2-3-9/h4-5,8-9H,2-3,6-7,15H2,1H3
InChIKeyCHJHGMVNDZTWOE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.16
Rot. Bonds3

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

2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine (PubChem CID 82145633) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
PubChem CID82145633
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
SMILESCC(CN)n1c(C2CC2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C14H17N3O2/c1-8(6-15)17-11-5-13-12(18-7-19-13)4-10(11)16-14(17)9-2-3-9/h4-5,8-9H,2-3,6-7,15H2,1H3
InChIKeyCHJHGMVNDZTWOE-UHFFFAOYSA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The IUPAC name of 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine (CID 82145633) is 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine.
What is the SMILES notation for 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The canonical SMILES for 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine is CC(CN)n1c(C2CC2)nc2cc3c(cc21)OCO3.
What is the InChIKey of 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The InChIKey is CHJHGMVNDZTWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8(6-15)17-11-5-13-12(18-7-19-13)4-10(11)16-14(17)9-2-3-9/h4-5,8-9H,2-3,6-7,15H2,1H3.
What are the key properties of 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine is sourced from PubChem (CID 82145633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).