7-pyridin-2-yl-1,4-dioxonan-7-amine

C12H18N2O2 — CID 134570717

IUPAC7-pyridin-2-yl-1,4-dioxonan-7-amine
SMILESNC1(c2ccccn2)CCOCCOCC1
InChIInChI=1S/C12H18N2O2/c13-12(11-3-1-2-6-14-11)4-7-15-9-10-16-8-5-12/h1-3,6H,4-5,7-10,13H2
InChIKeyCEXDUVBTWCNANM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds1

About 7-pyridin-2-yl-1,4-dioxonan-7-amine

7-pyridin-2-yl-1,4-dioxonan-7-amine (PubChem CID 134570717) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 7-pyridin-2-yl-1,4-dioxonan-7-amine.

Molecular Properties

Compound Name7-pyridin-2-yl-1,4-dioxonan-7-amine
PubChem CID134570717
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name7-pyridin-2-yl-1,4-dioxonan-7-amine
SMILESNC1(c2ccccn2)CCOCCOCC1
InChIInChI=1S/C12H18N2O2/c13-12(11-3-1-2-6-14-11)4-7-15-9-10-16-8-5-12/h1-3,6H,4-5,7-10,13H2
InChIKeyCEXDUVBTWCNANM-UHFFFAOYSA-N
XLogP1.06
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-pyridin-2-yl-1,4-dioxonan-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-1,4-dioxonan-7-amine?
The IUPAC name of 7-pyridin-2-yl-1,4-dioxonan-7-amine (CID 134570717) is 7-pyridin-2-yl-1,4-dioxonan-7-amine.
What is the SMILES notation for 7-pyridin-2-yl-1,4-dioxonan-7-amine?
The canonical SMILES for 7-pyridin-2-yl-1,4-dioxonan-7-amine is NC1(c2ccccn2)CCOCCOCC1.
What is the InChIKey of 7-pyridin-2-yl-1,4-dioxonan-7-amine?
The InChIKey is CEXDUVBTWCNANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-12(11-3-1-2-6-14-11)4-7-15-9-10-16-8-5-12/h1-3,6H,4-5,7-10,13H2.
What are the key properties of 7-pyridin-2-yl-1,4-dioxonan-7-amine?
7-pyridin-2-yl-1,4-dioxonan-7-amine has a molecular weight of 222.29 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-1,4-dioxonan-7-amine is sourced from PubChem (CID 134570717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).