1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine

C13H24N4 — CID 143564879

IUPAC1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine
SMILESCC1CCN(C)C1.CNCNc1ccccn1
InChIInChI=1S/C7H11N3.C6H13N/c1-8-6-10-7-4-2-3-5-9-7;1-6-3-4-7(2)5-6/h2-5,8H,6H2,1H3,(H,9,10);6H,3-5H2,1-2H3
InChIKeyIZWMSXRUKNVLAJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds3

About 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine

1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine (PubChem CID 143564879) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine.

Molecular Properties

Compound Name1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine
PubChem CID143564879
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine
SMILESCC1CCN(C)C1.CNCNc1ccccn1
InChIInChI=1S/C7H11N3.C6H13N/c1-8-6-10-7-4-2-3-5-9-7;1-6-3-4-7(2)5-6/h2-5,8H,6H2,1H3,(H,9,10);6H,3-5H2,1-2H3
InChIKeyIZWMSXRUKNVLAJ-UHFFFAOYSA-N
XLogP1.63
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine?
The IUPAC name of 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine (CID 143564879) is 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine.
What is the SMILES notation for 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine?
The canonical SMILES for 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine is CC1CCN(C)C1.CNCNc1ccccn1.
What is the InChIKey of 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine?
The InChIKey is IZWMSXRUKNVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C6H13N/c1-8-6-10-7-4-2-3-5-9-7;1-6-3-4-7(2)5-6/h2-5,8H,6H2,1H3,(H,9,10);6H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine?
1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidine;N-methyl-N'-pyridin-2-ylmethanediamine is sourced from PubChem (CID 143564879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).