2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C24H42N6 — CID 70265310

IUPAC2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(N(C)C2CCCCC2)nc(N(C)C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C24H42N6/c1-28(19-13-7-4-8-14-19)22-25-23(29(2)20-15-9-5-10-16-20)27-24(26-22)30(3)21-17-11-6-12-18-21/h19-21H,4-18H2,1-3H3
InChIKeyLQEGHMJEUZVHJK-UHFFFAOYSA-N
MW414.64 g/mol
LogP5.18
Rot. Bonds6

About 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 70265310) has the molecular formula C24H42N6 and a molecular weight of 414.64 g/mol. Its IUPAC name is 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID70265310
Molecular FormulaC24H42N6
Molecular Weight414.64 g/mol
Exact Mass414.35
IUPAC Name2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(N(C)C2CCCCC2)nc(N(C)C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C24H42N6/c1-28(19-13-7-4-8-14-19)22-25-23(29(2)20-15-9-5-10-16-20)27-24(26-22)30(3)21-17-11-6-12-18-21/h19-21H,4-18H2,1-3H3
InChIKeyLQEGHMJEUZVHJK-UHFFFAOYSA-N
XLogP5.18
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 70265310) is 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CN(c1nc(N(C)C2CCCCC2)nc(N(C)C2CCCCC2)n1)C1CCCCC1.
What is the InChIKey of 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LQEGHMJEUZVHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6/c1-28(19-13-7-4-8-14-19)22-25-23(29(2)20-15-9-5-10-16-20)27-24(26-22)30(3)21-17-11-6-12-18-21/h19-21H,4-18H2,1-3H3.
What are the key properties of 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 414.64 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tricyclohexyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70265310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).