2-[(2-methoxyethylamino)methyl]pyridin-3-amine

C9H15N3O — CID 104740028

IUPAC2-[(2-methoxyethylamino)methyl]pyridin-3-amine
SMILESCOCCNCc1ncccc1N
InChIInChI=1S/C9H15N3O/c1-13-6-5-11-7-9-8(10)3-2-4-12-9/h2-4,11H,5-7,10H2,1H3
InChIKeyOYTGRCSPPCHVRD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.40
Rot. Bonds5

About 2-[(2-methoxyethylamino)methyl]pyridin-3-amine

2-[(2-methoxyethylamino)methyl]pyridin-3-amine (PubChem CID 104740028) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(2-methoxyethylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2-methoxyethylamino)methyl]pyridin-3-amine
PubChem CID104740028
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(2-methoxyethylamino)methyl]pyridin-3-amine
SMILESCOCCNCc1ncccc1N
InChIInChI=1S/C9H15N3O/c1-13-6-5-11-7-9-8(10)3-2-4-12-9/h2-4,11H,5-7,10H2,1H3
InChIKeyOYTGRCSPPCHVRD-UHFFFAOYSA-N
XLogP0.40
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
CID 104740080
2-[(5-methylhexylamino)methyl]pyridin-3-amine
CID 104740216
2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
CID 104740128
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-3-amine
CID 104739958
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyethylamino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(2-methoxyethylamino)methyl]pyridin-3-amine (CID 104740028) is 2-[(2-methoxyethylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2-methoxyethylamino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(2-methoxyethylamino)methyl]pyridin-3-amine is COCCNCc1ncccc1N.
What is the InChIKey of 2-[(2-methoxyethylamino)methyl]pyridin-3-amine?
The InChIKey is OYTGRCSPPCHVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-6-5-11-7-9-8(10)3-2-4-12-9/h2-4,11H,5-7,10H2,1H3.
What are the key properties of 2-[(2-methoxyethylamino)methyl]pyridin-3-amine?
2-[(2-methoxyethylamino)methyl]pyridin-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 104740028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).