3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine

C14H23N3O — CID 113378215

IUPAC3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine
SMILESCOCCNc1nc(C)cc(C)c1CNC1CC1
InChIInChI=1S/C14H23N3O/c1-10-8-11(2)17-14(15-6-7-18-3)13(10)9-16-12-4-5-12/h8,12,16H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyRHGNBCMCZYTJJM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine

3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine (PubChem CID 113378215) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine
PubChem CID113378215
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine
SMILESCOCCNc1nc(C)cc(C)c1CNC1CC1
InChIInChI=1S/C14H23N3O/c1-10-8-11(2)17-14(15-6-7-18-3)13(10)9-16-12-4-5-12/h8,12,16H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyRHGNBCMCZYTJJM-UHFFFAOYSA-N
XLogP2.01
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine (CID 113378215) is 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine is COCCNc1nc(C)cc(C)c1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine?
The InChIKey is RHGNBCMCZYTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-8-11(2)17-14(15-6-7-18-3)13(10)9-16-12-4-5-12/h8,12,16H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine?
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 113378215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).