2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine

C15H28N6 — CID 80818773

IUPAC2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NCC2(C)CCCC2)n1
InChIInChI=1S/C15H28N6/c1-5-21(6-2)14-19-12(16-4)18-13(20-14)17-11-15(3)9-7-8-10-15/h5-11H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyRHGXMXJFFBNCRL-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.75
Rot. Bonds7

About 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80818773) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80818773
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NCC2(C)CCCC2)n1
InChIInChI=1S/C15H28N6/c1-5-21(6-2)14-19-12(16-4)18-13(20-14)17-11-15(3)9-7-8-10-15/h5-11H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyRHGXMXJFFBNCRL-UHFFFAOYSA-N
XLogP2.75
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80818773) is 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NC)nc(NCC2(C)CCCC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RHGXMXJFFBNCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-5-21(6-2)14-19-12(16-4)18-13(20-14)17-11-15(3)9-7-8-10-15/h5-11H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 292.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80818773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).