1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine

C9H14N2O3 — CID 103172527

IUPAC1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
SMILESCONCc1nccc(OC)c1OC
InChIInChI=1S/C9H14N2O3/c1-12-8-4-5-10-7(6-11-14-3)9(8)13-2/h4-5,11H,6H2,1-3H3
InChIKeyNVPFNYHXKNXYFF-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.75
Rot. Bonds5

About 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine

1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine (PubChem CID 103172527) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
PubChem CID103172527
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
SMILESCONCc1nccc(OC)c1OC
InChIInChI=1S/C9H14N2O3/c1-12-8-4-5-10-7(6-11-14-3)9(8)13-2/h4-5,11H,6H2,1-3H3
InChIKeyNVPFNYHXKNXYFF-UHFFFAOYSA-N
XLogP0.75
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
CID 103172752
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103172731
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine?
The IUPAC name of 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine (CID 103172527) is 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine is CONCc1nccc(OC)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine?
The InChIKey is NVPFNYHXKNXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-12-8-4-5-10-7(6-11-14-3)9(8)13-2/h4-5,11H,6H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine?
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine has a molecular weight of 198.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine is sourced from PubChem (CID 103172527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).