2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine

C14H23N3 — CID 103182574

IUPAC2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine
SMILESCCC1CCN(Cc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C14H23N3/c1-4-12-5-6-17(8-12)9-13-11(3)14(15)10(2)7-16-13/h7,12H,4-6,8-9H2,1-3H3,(H2,15,16)
InChIKeyDBPGXYWUVCCNPQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.51
Rot. Bonds3

About 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine

2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103182574) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine
PubChem CID103182574
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine
SMILESCCC1CCN(Cc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C14H23N3/c1-4-12-5-6-17(8-12)9-13-11(3)14(15)10(2)7-16-13/h7,12H,4-6,8-9H2,1-3H3,(H2,15,16)
InChIKeyDBPGXYWUVCCNPQ-UHFFFAOYSA-N
XLogP2.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine (CID 103182574) is 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine is CCC1CCN(Cc2ncc(C)c(N)c2C)C1.
What is the InChIKey of 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is DBPGXYWUVCCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-12-5-6-17(8-12)9-13-11(3)14(15)10(2)7-16-13/h7,12H,4-6,8-9H2,1-3H3,(H2,15,16).
What are the key properties of 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103182574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).