4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine

C14H23N3O — CID 55139542

IUPAC4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1cc(CNC2CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-17(8-3-9-18-2)14-10-12(6-7-15-14)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyRPTMCGNPQFEAGU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine

4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 55139542) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID55139542
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1cc(CNC2CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-17(8-3-9-18-2)14-10-12(6-7-15-14)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyRPTMCGNPQFEAGU-UHFFFAOYSA-N
XLogP1.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
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 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine (CID 55139542) is 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine is COCCCN(C)c1cc(CNC2CC2)ccn1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is RPTMCGNPQFEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(8-3-9-18-2)14-10-12(6-7-15-14)11-16-13-4-5-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 55139542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).