2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

C17H30N6 — CID 23295152

IUPAC2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(Nc2nc(N)nc(NC3(C)CCCCC3)n2)CCCCC1
InChIInChI=1S/C17H30N6/c1-16(9-5-3-6-10-16)22-14-19-13(18)20-15(21-14)23-17(2)11-7-4-8-12-17/h3-12H2,1-2H3,(H4,18,19,20,21,22,23)
InChIKeySIKXVMRSRKAEIL-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.72
Rot. Bonds4

About 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23295152) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23295152
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC Name2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(Nc2nc(N)nc(NC3(C)CCCCC3)n2)CCCCC1
InChIInChI=1S/C17H30N6/c1-16(9-5-3-6-10-16)22-14-19-13(18)20-15(21-14)23-17(2)11-7-4-8-12-17/h3-12H2,1-2H3,(H4,18,19,20,21,22,23)
InChIKeySIKXVMRSRKAEIL-UHFFFAOYSA-N
XLogP3.72
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (CID 23295152) is 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is CC1(Nc2nc(N)nc(NC3(C)CCCCC3)n2)CCCCC1.
What is the InChIKey of 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SIKXVMRSRKAEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-16(9-5-3-6-10-16)22-14-19-13(18)20-15(21-14)23-17(2)11-7-4-8-12-17/h3-12H2,1-2H3,(H4,18,19,20,21,22,23).
What are the key properties of 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 318.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23295152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).