5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine

C19H25N3 — CID 102542845

IUPAC5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
SMILESCc1cc(C2CCCN2Cc2ccccc2)cnc1N(C)C
InChIInChI=1S/C19H25N3/c1-15-12-17(13-20-19(15)21(2)3)18-10-7-11-22(18)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,18H,7,10-11,14H2,1-3H3
InChIKeyPNMZGNULPKHLST-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.79
Rot. Bonds4

About 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine

5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine (PubChem CID 102542845) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
PubChem CID102542845
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
SMILESCc1cc(C2CCCN2Cc2ccccc2)cnc1N(C)C
InChIInChI=1S/C19H25N3/c1-15-12-17(13-20-19(15)21(2)3)18-10-7-11-22(18)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,18H,7,10-11,14H2,1-3H3
InChIKeyPNMZGNULPKHLST-UHFFFAOYSA-N
XLogP3.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine?
The IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine (CID 102542845) is 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine.
What is the SMILES notation for 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine?
The canonical SMILES for 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine is Cc1cc(C2CCCN2Cc2ccccc2)cnc1N(C)C.
What is the InChIKey of 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine?
The InChIKey is PNMZGNULPKHLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15-12-17(13-20-19(15)21(2)3)18-10-7-11-22(18)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,18H,7,10-11,14H2,1-3H3.
What are the key properties of 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine?
5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine is sourced from PubChem (CID 102542845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).