2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C17H30N6 — CID 54191363

IUPAC2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(N)nc(N(C)C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C17H30N6/c1-22(13-9-5-3-6-10-13)16-19-15(18)20-17(21-16)23(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyPITFRHURXAYHIG-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.99
Rot. Bonds4

About 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 54191363) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID54191363
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC Name2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(N)nc(N(C)C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C17H30N6/c1-22(13-9-5-3-6-10-13)16-19-15(18)20-17(21-16)23(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyPITFRHURXAYHIG-UHFFFAOYSA-N
XLogP2.99
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 54191363) is 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(c1nc(N)nc(N(C)C2CCCCC2)n1)C1CCCCC1.
What is the InChIKey of 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PITFRHURXAYHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-22(13-9-5-3-6-10-13)16-19-15(18)20-17(21-16)23(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 318.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dicyclohexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54191363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).