2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine

C11H22N6 — CID 80831643

IUPAC2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)CCCNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6/c1-8(2)6-5-7-13-10-14-9(12)15-11(16-10)17(3)4/h8H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyUFNYBYJDABXIRB-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.37
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80831643) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80831643
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)CCCNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6/c1-8(2)6-5-7-13-10-14-9(12)15-11(16-10)17(3)4/h8H,5-7H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyUFNYBYJDABXIRB-UHFFFAOYSA-N
XLogP1.37
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N,6-N-trimethyl-4-N-(7-methyloctyl)-1,3,5-triazine-2,4,6-triamine
CID 107818936
4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264890
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138250
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 113496716
2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80792543
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide
CID 106343446
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80797100
2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115327658
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80829643
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine (CID 80831643) is 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine is CC(C)CCCNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UFNYBYJDABXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-8(2)6-5-7-13-10-14-9(12)15-11(16-10)17(3)4/h8H,5-7H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 238.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80831643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).