3-pyridin-3-yloxetan-3-amine;dihydrochloride

C8H12Cl2N2O — CID 127263556

IUPAC3-pyridin-3-yloxetan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2cccnc2)COC1
InChIInChI=1S/C8H10N2O.2ClH/c9-8(5-11-6-8)7-2-1-3-10-4-7;;/h1-4H,5-6,9H2;2*1H
InChIKeyKCGZZXQOIPLMAW-UHFFFAOYSA-N
MW223.10 g/mol
LogP1.11
Rot. Bonds1

About 3-pyridin-3-yloxetan-3-amine;dihydrochloride

3-pyridin-3-yloxetan-3-amine;dihydrochloride (PubChem CID 127263556) has the molecular formula C8H12Cl2N2O and a molecular weight of 223.10 g/mol. Its IUPAC name is 3-pyridin-3-yloxetan-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-pyridin-3-yloxetan-3-amine;dihydrochloride
PubChem CID127263556
Molecular FormulaC8H12Cl2N2O
Molecular Weight223.10 g/mol
Exact Mass222.03
IUPAC Name3-pyridin-3-yloxetan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2cccnc2)COC1
InChIInChI=1S/C8H10N2O.2ClH/c9-8(5-11-6-8)7-2-1-3-10-4-7;;/h1-4H,5-6,9H2;2*1H
InChIKeyKCGZZXQOIPLMAW-UHFFFAOYSA-N
XLogP1.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yloxetan-3-amine;dihydrochloride?
The IUPAC name of 3-pyridin-3-yloxetan-3-amine;dihydrochloride (CID 127263556) is 3-pyridin-3-yloxetan-3-amine;dihydrochloride.
What is the SMILES notation for 3-pyridin-3-yloxetan-3-amine;dihydrochloride?
The canonical SMILES for 3-pyridin-3-yloxetan-3-amine;dihydrochloride is Cl.Cl.NC1(c2cccnc2)COC1.
What is the InChIKey of 3-pyridin-3-yloxetan-3-amine;dihydrochloride?
The InChIKey is KCGZZXQOIPLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.2ClH/c9-8(5-11-6-8)7-2-1-3-10-4-7;;/h1-4H,5-6,9H2;2*1H.
What are the key properties of 3-pyridin-3-yloxetan-3-amine;dihydrochloride?
3-pyridin-3-yloxetan-3-amine;dihydrochloride has a molecular weight of 223.10 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yloxetan-3-amine;dihydrochloride is sourced from PubChem (CID 127263556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).