1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

C12H17ClN2O — CID 45263892

IUPAC1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESC=Cc1cncc(OCC2(NC)CC2)c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-3-10-6-11(8-14-7-10)15-9-12(13-2)4-5-12;/h3,6-8,13H,1,4-5,9H2,2H3;1H
InChIKeyNQMTWXLSXDOAGZ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.28
Rot. Bonds5

About 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (PubChem CID 45263892) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
PubChem CID45263892
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESC=Cc1cncc(OCC2(NC)CC2)c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-3-10-6-11(8-14-7-10)15-9-12(13-2)4-5-12;/h3,6-8,13H,1,4-5,9H2,2H3;1H
InChIKeyNQMTWXLSXDOAGZ-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (CID 45263892) is 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is C=Cc1cncc(OCC2(NC)CC2)c1.Cl.
What is the InChIKey of 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is NQMTWXLSXDOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-3-10-6-11(8-14-7-10)15-9-12(13-2)4-5-12;/h3,6-8,13H,1,4-5,9H2,2H3;1H.
What are the key properties of 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethenyl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45263892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).