3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine

C11H16N2O — CID 130488531

IUPAC3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(C2C(N)C2(C)C)cn1
InChIInChI=1S/C11H16N2O/c1-11(2)9(10(11)12)7-4-5-8(14-3)13-6-7/h4-6,9-10H,12H2,1-3H3
InChIKeyHJVWUBZZJWQPLJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.54
Rot. Bonds2

About 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine

3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 130488531) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID130488531
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(C2C(N)C2(C)C)cn1
InChIInChI=1S/C11H16N2O/c1-11(2)9(10(11)12)7-4-5-8(14-3)13-6-7/h4-6,9-10H,12H2,1-3H3
InChIKeyHJVWUBZZJWQPLJ-UHFFFAOYSA-N
XLogP1.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine (CID 130488531) is 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine is COc1ccc(C2C(N)C2(C)C)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is HJVWUBZZJWQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2)9(10(11)12)7-4-5-8(14-3)13-6-7/h4-6,9-10H,12H2,1-3H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 130488531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).