(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine

C9H14N2O — CID 14645997

IUPAC(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
SMILESCOc1c(C)cnc(CN)c1C
InChIInChI=1S/C9H14N2O/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4,10H2,1-3H3
InChIKeyCNPVFVHYBKQINB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.17
Rot. Bonds2

About (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine

(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine (PubChem CID 14645997) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
PubChem CID14645997
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
SMILESCOc1c(C)cnc(CN)c1C
InChIInChI=1S/C9H14N2O/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4,10H2,1-3H3
InChIKeyCNPVFVHYBKQINB-UHFFFAOYSA-N
XLogP1.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
The IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine (CID 14645997) is (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine.
What is the SMILES notation for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
The canonical SMILES for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine is COc1c(C)cnc(CN)c1C.
What is the InChIKey of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
The InChIKey is CNPVFVHYBKQINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4,10H2,1-3H3.
What are the key properties of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine has a molecular weight of 166.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine is sourced from PubChem (CID 14645997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).