oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride

C10H16Cl2N2O — CID 155973476

IUPACoxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NC(c1cccnc1)C1CCCO1
InChIInChI=1S/C10H14N2O.2ClH/c11-10(9-4-2-6-13-9)8-3-1-5-12-7-8;;/h1,3,5,7,9-10H,2,4,6,11H2;2*1H
InChIKeyYPVCCJSKQCCAJZ-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.10
Rot. Bonds2

About oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride

oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride (PubChem CID 155973476) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Nameoxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride
PubChem CID155973476
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Nameoxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NC(c1cccnc1)C1CCCO1
InChIInChI=1S/C10H14N2O.2ClH/c11-10(9-4-2-6-13-9)8-3-1-5-12-7-8;;/h1,3,5,7,9-10H,2,4,6,11H2;2*1H
InChIKeyYPVCCJSKQCCAJZ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride?
The IUPAC name of oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride (CID 155973476) is oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride?
The canonical SMILES for oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride is Cl.Cl.NC(c1cccnc1)C1CCCO1.
What is the InChIKey of oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride?
The InChIKey is YPVCCJSKQCCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2ClH/c11-10(9-4-2-6-13-9)8-3-1-5-12-7-8;;/h1,3,5,7,9-10H,2,4,6,11H2;2*1H.
What are the key properties of oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride?
oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl(pyridin-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 155973476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).