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

C16H32N8 — CID 46854212

IUPAC2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(NCCN(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C16H32N8/c1-22(2)12-8-17-14-19-15(18-9-13-23(3)4)21-16(20-14)24-10-6-5-7-11-24/h5-13H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyPMDPWOQWMKWYJF-UHFFFAOYSA-N
MW336.49 g/mol
LogP0.81
Rot. Bonds9

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

2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 46854212) has the molecular formula C16H32N8 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID46854212
Molecular FormulaC16H32N8
Molecular Weight336.49 g/mol
Exact Mass336.27
IUPAC Name2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCNc1nc(NCCN(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C16H32N8/c1-22(2)12-8-17-14-19-15(18-9-13-23(3)4)21-16(20-14)24-10-6-5-7-11-24/h5-13H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyPMDPWOQWMKWYJF-UHFFFAOYSA-N
XLogP0.81
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 50.81
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-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 46854212) is 2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CN(C)CCNc1nc(NCCN(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PMDPWOQWMKWYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N8/c1-22(2)12-8-17-14-19-15(18-9-13-23(3)4)21-16(20-14)24-10-6-5-7-11-24/h5-13H2,1-4H3,(H2,17,18,19,20,21).
What are the key properties of 2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 336.49 g/mol, XLogP of 0.81, 9 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-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46854212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).