6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C13H24N6 — CID 80764093

IUPAC6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H24N6/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-9-7-5-6-8-10-19/h3-10H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQKMZODZNXSSBK-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.68
Rot. Bonds4

About 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80764093) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID80764093
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H24N6/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-9-7-5-6-8-10-19/h3-10H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQKMZODZNXSSBK-UHFFFAOYSA-N
XLogP1.68
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 80764093) is 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQKMZODZNXSSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-9-7-5-6-8-10-19/h3-10H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80764093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).