1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine

C14H23N3 — CID 114056405

IUPAC1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cccnc1N1CC(C)CC1C
InChIInChI=1S/C14H23N3/c1-10-8-11(2)17(9-10)14-13(12(3)15-4)6-5-7-16-14/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyYDHLLRQCSWLDHC-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.60
Rot. Bonds3

About 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine

1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine (PubChem CID 114056405) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine
PubChem CID114056405
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cccnc1N1CC(C)CC1C
InChIInChI=1S/C14H23N3/c1-10-8-11(2)17(9-10)14-13(12(3)15-4)6-5-7-16-14/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyYDHLLRQCSWLDHC-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine (CID 114056405) is 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine is CNC(C)c1cccnc1N1CC(C)CC1C.
What is the InChIKey of 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine?
The InChIKey is YDHLLRQCSWLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-8-11(2)17(9-10)14-13(12(3)15-4)6-5-7-16-14/h5-7,10-12,15H,8-9H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine?
1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 114056405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).