2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C16H30N6 — CID 535383

IUPAC2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C16H30N6/c1-15(2,3)20-12-17-13(21-16(4,5)6)19-14(18-12)22-10-8-7-9-11-22/h7-11H2,1-6H3,(H2,17,18,19,20,21)
InChIKeyNGEWMASDVPOYGL-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.28
Rot. Bonds3

About 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 535383) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID535383
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C16H30N6/c1-15(2,3)20-12-17-13(21-16(4,5)6)19-14(18-12)22-10-8-7-9-11-22/h7-11H2,1-6H3,(H2,17,18,19,20,21)
InChIKeyNGEWMASDVPOYGL-UHFFFAOYSA-N
XLogP3.28
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 535383) is 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NGEWMASDVPOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-15(2,3)20-12-17-13(21-16(4,5)6)19-14(18-12)22-10-8-7-9-11-22/h7-11H2,1-6H3,(H2,17,18,19,20,21).
What are the key properties of 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 306.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 535383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).