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

C14H26N6 — CID 80776049

IUPAC4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC1CCCCN1c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C14H26N6/c1-4-11-9-7-8-10-20(11)14-17-12(15)16-13(18-14)19(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVKKYEQPMABHEMG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds5

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

4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80776049) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80776049
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC1CCCCN1c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C14H26N6/c1-4-11-9-7-8-10-20(11)14-17-12(15)16-13(18-14)19(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVKKYEQPMABHEMG-UHFFFAOYSA-N
XLogP2.07
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (CID 80776049) is 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is CCC1CCCCN1c1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VKKYEQPMABHEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-4-11-9-7-8-10-20(11)14-17-12(15)16-13(18-14)19(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80776049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).