2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine

C15H25N3 — CID 79250929

IUPAC2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCCC2(C)C)c1
InChIInChI=1S/C15H25N3/c1-4-8-16-13-6-9-17-14(11-13)12-18-10-5-7-15(18,2)3/h6,9,11H,4-5,7-8,10,12H2,1-3H3,(H,16,17)
InChIKeyZXOHJXGSSJOBDB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine

2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine (PubChem CID 79250929) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
PubChem CID79250929
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCCC2(C)C)c1
InChIInChI=1S/C15H25N3/c1-4-8-16-13-6-9-17-14(11-13)12-18-10-5-7-15(18,2)3/h6,9,11H,4-5,7-8,10,12H2,1-3H3,(H,16,17)
InChIKeyZXOHJXGSSJOBDB-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine (CID 79250929) is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN2CCCC2(C)C)c1.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
The InChIKey is ZXOHJXGSSJOBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-8-16-13-6-9-17-14(11-13)12-18-10-5-7-15(18,2)3/h6,9,11H,4-5,7-8,10,12H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine?
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79250929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).