2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C20H40N8 — CID 46854213

IUPAC2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CCNc1nc(NCCN(CC)CC)nc(N2CCCCC2)n1
InChIInChI=1S/C20H40N8/c1-5-26(6-2)16-12-21-18-23-19(22-13-17-27(7-3)8-4)25-20(24-18)28-14-10-9-11-15-28/h5-17H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyCGQKDGOEQUPSND-UHFFFAOYSA-N
MW392.60 g/mol
LogP2.37
Rot. Bonds13

About 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 46854213) has the molecular formula C20H40N8 and a molecular weight of 392.60 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID46854213
Molecular FormulaC20H40N8
Molecular Weight392.60 g/mol
Exact Mass392.34
IUPAC Name2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CCNc1nc(NCCN(CC)CC)nc(N2CCCCC2)n1
InChIInChI=1S/C20H40N8/c1-5-26(6-2)16-12-21-18-23-19(22-13-17-27(7-3)8-4)25-20(24-18)28-14-10-9-11-15-28/h5-17H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyCGQKDGOEQUPSND-UHFFFAOYSA-N
XLogP2.37
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 46854213) is 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CCN(CC)CCNc1nc(NCCN(CC)CC)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CGQKDGOEQUPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N8/c1-5-26(6-2)16-12-21-18-23-19(22-13-17-27(7-3)8-4)25-20(24-18)28-14-10-9-11-15-28/h5-17H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 392.60 g/mol, XLogP of 2.37, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2-(diethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46854213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).