2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine

C19H31N5 — CID 23198076

IUPAC2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine
SMILESC=CCN(CC)c1ccc(N(CC)CC=C)c(N2CCNCC2)n1
InChIInChI=1S/C19H31N5/c1-5-13-22(7-3)17-9-10-18(23(8-4)14-6-2)21-19(17)24-15-11-20-12-16-24/h5-6,9-10,20H,1-2,7-8,11-16H2,3-4H3
InChIKeyITQSJOUHUYORQC-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.52
Rot. Bonds9

About 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine

2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine (PubChem CID 23198076) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine
PubChem CID23198076
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine
SMILESC=CCN(CC)c1ccc(N(CC)CC=C)c(N2CCNCC2)n1
InChIInChI=1S/C19H31N5/c1-5-13-22(7-3)17-9-10-18(23(8-4)14-6-2)21-19(17)24-15-11-20-12-16-24/h5-6,9-10,20H,1-2,7-8,11-16H2,3-4H3
InChIKeyITQSJOUHUYORQC-UHFFFAOYSA-N
XLogP2.52
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine (CID 23198076) is 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine is C=CCN(CC)c1ccc(N(CC)CC=C)c(N2CCNCC2)n1.
What is the InChIKey of 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine?
The InChIKey is ITQSJOUHUYORQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-5-13-22(7-3)17-9-10-18(23(8-4)14-6-2)21-19(17)24-15-11-20-12-16-24/h5-6,9-10,20H,1-2,7-8,11-16H2,3-4H3.
What are the key properties of 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine?
2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine has a molecular weight of 329.49 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-diethyl-6-piperazin-1-yl-2-N,5-N-bis(prop-2-enyl)pyridine-2,5-diamine is sourced from PubChem (CID 23198076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).