5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine

C14H25N3O — CID 81247424

IUPAC5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(C)CCCOC
InChIInChI=1S/C14H25N3O/c1-5-15-10-13-11-16-12(2)9-14(13)17(3)7-6-8-18-4/h9,11,15H,5-8,10H2,1-4H3
InChIKeyCSDFAZRGQQOFKI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.97
Rot. Bonds8

About 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine

5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine (PubChem CID 81247424) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
PubChem CID81247424
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
SMILESCCNCc1cnc(C)cc1N(C)CCCOC
InChIInChI=1S/C14H25N3O/c1-5-15-10-13-11-16-12(2)9-14(13)17(3)7-6-8-18-4/h9,11,15H,5-8,10H2,1-4H3
InChIKeyCSDFAZRGQQOFKI-UHFFFAOYSA-N
XLogP1.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.97
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 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine (CID 81247424) is 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine is CCNCc1cnc(C)cc1N(C)CCCOC.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine?
The InChIKey is CSDFAZRGQQOFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-10-13-11-16-12(2)9-14(13)17(3)7-6-8-18-4/h9,11,15H,5-8,10H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine?
5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine is sourced from PubChem (CID 81247424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).