N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine

C12H19N3 — CID 115917072

IUPACN-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine
SMILESCc1ccc(NC2CC(C)N(C)C2)nc1
InChIInChI=1S/C12H19N3/c1-9-4-5-12(13-7-9)14-11-6-10(2)15(3)8-11/h4-5,7,10-11H,6,8H2,1-3H3,(H,13,14)
InChIKeyUPMDMLRCWFUTAK-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.89
Rot. Bonds2

About N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine

N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine (PubChem CID 115917072) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine
PubChem CID115917072
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine
SMILESCc1ccc(NC2CC(C)N(C)C2)nc1
InChIInChI=1S/C12H19N3/c1-9-4-5-12(13-7-9)14-11-6-10(2)15(3)8-11/h4-5,7,10-11H,6,8H2,1-3H3,(H,13,14)
InChIKeyUPMDMLRCWFUTAK-UHFFFAOYSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
The IUPAC name of N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine (CID 115917072) is N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine.
What is the SMILES notation for N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
The canonical SMILES for N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine is Cc1ccc(NC2CC(C)N(C)C2)nc1.
What is the InChIKey of N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
The InChIKey is UPMDMLRCWFUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-4-5-12(13-7-9)14-11-6-10(2)15(3)8-11/h4-5,7,10-11H,6,8H2,1-3H3,(H,13,14).
What are the key properties of N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine has a molecular weight of 205.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrrolidin-3-yl)-5-methylpyridin-2-amine is sourced from PubChem (CID 115917072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).