2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C10H20N6 — CID 69049716

IUPAC2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCN(C)c1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6/c1-3-4-5-6-7-16(2)10-14-8(11)13-9(12)15-10/h3-7H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyXWDBIZLCVCRLLW-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.05
Rot. Bonds6

About 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 69049716) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID69049716
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCN(C)c1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6/c1-3-4-5-6-7-16(2)10-14-8(11)13-9(12)15-10/h3-7H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyXWDBIZLCVCRLLW-UHFFFAOYSA-N
XLogP1.05
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetramethyl-6-(1-piperidinyl)-
CID 969866
s-Triazine, 2,4-bis(ethylamino)-6-piperidino-
CID 204414
N-Octadecyl-1,3,5-triazine-2,4,6-triamine
CID 89073
6-(Piperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 220907
s-Triazine, 2,6-diamino-4-dipropylamino-
CID 121256
s-Triazine, 2-amino-4-(cyclohexylamino)-6-(dimethylamino)-
CID 207596
N~2~-Cyclohexyl-N~4~-methyl-1,3,5-triazinane-2,4,6-triimine
CID 213573
AG-F-96600
CID 21818
N-Cyclohexyl-N-methyl-6-piperidin-1-yl-[1,3,5]triazine-2,4-diamine
CID 10708644
4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine
CID 10982393
2-N,4-N,6-N-triheptyl-1,3,5-triazine-2,4,6-triamine
CID 44370899
6-(1-piperidyl)-N2,N4-dipropyl-1,3,5-triazine-2,4-diamine
CID 46854064

Frequently Asked Questions

What is the IUPAC name of 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 69049716) is 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCCCN(C)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XWDBIZLCVCRLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-4-5-6-7-16(2)10-14-8(11)13-9(12)15-10/h3-7H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 224.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69049716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).