3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine

C15H25N3 — CID 103182576

IUPAC3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCCC1CCN(Cc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C15H25N3/c1-4-5-13-6-7-18(9-13)10-14-12(3)15(16)11(2)8-17-14/h8,13H,4-7,9-10H2,1-3H3,(H2,16,17)
InChIKeySGVASDXERYQVNW-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.90
Rot. Bonds4

About 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine

3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine (PubChem CID 103182576) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
PubChem CID103182576
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCCC1CCN(Cc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C15H25N3/c1-4-5-13-6-7-18(9-13)10-14-12(3)15(16)11(2)8-17-14/h8,13H,4-7,9-10H2,1-3H3,(H2,16,17)
InChIKeySGVASDXERYQVNW-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine (CID 103182576) is 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine is CCCC1CCN(Cc2ncc(C)c(N)c2C)C1.
What is the InChIKey of 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The InChIKey is SGVASDXERYQVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-5-13-6-7-18(9-13)10-14-12(3)15(16)11(2)8-17-14/h8,13H,4-7,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 103182576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).