2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine

C11H18N4 — CID 22598684

IUPAC2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine
SMILESCCNc1nc(N2CCCC2)ccc1N
InChIInChI=1S/C11H18N4/c1-2-13-11-9(12)5-6-10(14-11)15-7-3-4-8-15/h5-6H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyQJVMBQXCGZQDJC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.70
Rot. Bonds3

About 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine

2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine (PubChem CID 22598684) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine
PubChem CID22598684
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine
SMILESCCNc1nc(N2CCCC2)ccc1N
InChIInChI=1S/C11H18N4/c1-2-13-11-9(12)5-6-10(14-11)15-7-3-4-8-15/h5-6H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyQJVMBQXCGZQDJC-UHFFFAOYSA-N
XLogP1.70
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine (CID 22598684) is 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine is CCNc1nc(N2CCCC2)ccc1N.
What is the InChIKey of 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine?
The InChIKey is QJVMBQXCGZQDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-13-11-9(12)5-6-10(14-11)15-7-3-4-8-15/h5-6H,2-4,7-8,12H2,1H3,(H,13,14).
What are the key properties of 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine?
2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-pyrrolidin-1-ylpyridine-2,3-diamine is sourced from PubChem (CID 22598684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).