2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine

C14H22N4 — CID 113367655

IUPAC2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine
SMILESCCNc1cc(NC2CCN3CCCC23)ccn1
InChIInChI=1S/C14H22N4/c1-2-15-14-10-11(5-7-16-14)17-12-6-9-18-8-3-4-13(12)18/h5,7,10,12-13H,2-4,6,8-9H2,1H3,(H2,15,16,17)
InChIKeyFJHUJSBUQZBBSO-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.16
Rot. Bonds4

About 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine

2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine (PubChem CID 113367655) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine
PubChem CID113367655
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine
SMILESCCNc1cc(NC2CCN3CCCC23)ccn1
InChIInChI=1S/C14H22N4/c1-2-15-14-10-11(5-7-16-14)17-12-6-9-18-8-3-4-13(12)18/h5,7,10,12-13H,2-4,6,8-9H2,1H3,(H2,15,16,17)
InChIKeyFJHUJSBUQZBBSO-UHFFFAOYSA-N
XLogP2.16
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine (CID 113367655) is 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine is CCNc1cc(NC2CCN3CCCC23)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine?
The InChIKey is FJHUJSBUQZBBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-15-14-10-11(5-7-16-14)17-12-6-9-18-8-3-4-13(12)18/h5,7,10,12-13H,2-4,6,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine?
2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine is sourced from PubChem (CID 113367655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).