1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine

C11H16N2O — CID 105446410

IUPAC1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(CCC2(N)CC2)ccn1
InChIInChI=1S/C11H16N2O/c1-14-10-8-9(3-7-13-10)2-4-11(12)5-6-11/h3,7-8H,2,4-6,12H2,1H3
InChIKeyWMWSXMNOXKDZIS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine

1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine (PubChem CID 105446410) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
PubChem CID105446410
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(CCC2(N)CC2)ccn1
InChIInChI=1S/C11H16N2O/c1-14-10-8-9(3-7-13-10)2-4-11(12)5-6-11/h3,7-8H,2,4-6,12H2,1H3
InChIKeyWMWSXMNOXKDZIS-UHFFFAOYSA-N
XLogP1.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine (CID 105446410) is 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine is COc1cc(CCC2(N)CC2)ccn1.
What is the InChIKey of 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
The InChIKey is WMWSXMNOXKDZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-10-8-9(3-7-13-10)2-4-11(12)5-6-11/h3,7-8H,2,4-6,12H2,1H3.
What are the key properties of 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine?
1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105446410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).