2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine

C17H33N5 — CID 67796350

IUPAC2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine
SMILESCCN(CC)C1=CC=CC(N(CC)CC)(N2CCNCC2)N1
InChIInChI=1S/C17H33N5/c1-5-20(6-2)16-10-9-11-17(19-16,21(7-3)8-4)22-14-12-18-13-15-22/h9-11,18-19H,5-8,12-15H2,1-4H3
InChIKeyGSSABEBWJUXNFV-UHFFFAOYSA-N
MW307.49 g/mol
LogP1.23
Rot. Bonds7

About 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine

2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine (PubChem CID 67796350) has the molecular formula C17H33N5 and a molecular weight of 307.49 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine
PubChem CID67796350
Molecular FormulaC17H33N5
Molecular Weight307.49 g/mol
Exact Mass307.27
IUPAC Name2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine
SMILESCCN(CC)C1=CC=CC(N(CC)CC)(N2CCNCC2)N1
InChIInChI=1S/C17H33N5/c1-5-20(6-2)16-10-9-11-17(19-16,21(7-3)8-4)22-14-12-18-13-15-22/h9-11,18-19H,5-8,12-15H2,1-4H3
InChIKeyGSSABEBWJUXNFV-UHFFFAOYSA-N
XLogP1.23
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine (CID 67796350) is 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine is CCN(CC)C1=CC=CC(N(CC)CC)(N2CCNCC2)N1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine?
The InChIKey is GSSABEBWJUXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5/c1-5-20(6-2)16-10-9-11-17(19-16,21(7-3)8-4)22-14-12-18-13-15-22/h9-11,18-19H,5-8,12-15H2,1-4H3.
What are the key properties of 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine?
2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine has a molecular weight of 307.49 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyridine-2,6-diamine is sourced from PubChem (CID 67796350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).