oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride

C10H16Cl2N2O — CID 155977801

IUPACoxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NC(c1cccnc1)C1CCOC1
InChIInChI=1S/C10H14N2O.2ClH/c11-10(9-3-5-13-7-9)8-2-1-4-12-6-8;;/h1-2,4,6,9-10H,3,5,7,11H2;2*1H
InChIKeyURVLHVMWAXIAFI-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.96
Rot. Bonds2

About oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride

oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride (PubChem CID 155977801) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Nameoxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride
PubChem CID155977801
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Nameoxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NC(c1cccnc1)C1CCOC1
InChIInChI=1S/C10H14N2O.2ClH/c11-10(9-3-5-13-7-9)8-2-1-4-12-6-8;;/h1-2,4,6,9-10H,3,5,7,11H2;2*1H
InChIKeyURVLHVMWAXIAFI-UHFFFAOYSA-N
XLogP1.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride 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 oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride?
The IUPAC name of oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride (CID 155977801) is oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride?
The canonical SMILES for oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride is Cl.Cl.NC(c1cccnc1)C1CCOC1.
What is the InChIKey of oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride?
The InChIKey is URVLHVMWAXIAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2ClH/c11-10(9-3-5-13-7-9)8-2-1-4-12-6-8;;/h1-2,4,6,9-10H,3,5,7,11H2;2*1H.
What are the key properties of oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride?
oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(pyridin-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 155977801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).