4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

C17H32N6S — CID 140514462

IUPAC4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCNc1nc(N)nc(NC2CCC(SC)CC2)n1
InChIInChI=1S/C17H32N6S/c1-3-4-5-6-7-12-19-16-21-15(18)22-17(23-16)20-13-8-10-14(24-2)11-9-13/h13-14H,3-12H2,1-2H3,(H4,18,19,20,21,22,23)
InChIKeyTZAACWDXTGVDSC-UHFFFAOYSA-N
MW352.55 g/mol
LogP3.92
Rot. Bonds10

About 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 140514462) has the molecular formula C17H32N6S and a molecular weight of 352.55 g/mol. Its IUPAC name is 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID140514462
Molecular FormulaC17H32N6S
Molecular Weight352.55 g/mol
Exact Mass352.24
IUPAC Name4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCNc1nc(N)nc(NC2CCC(SC)CC2)n1
InChIInChI=1S/C17H32N6S/c1-3-4-5-6-7-12-19-16-21-15(18)22-17(23-16)20-13-8-10-14(24-2)11-9-13/h13-14H,3-12H2,1-2H3,(H4,18,19,20,21,22,23)
InChIKeyTZAACWDXTGVDSC-UHFFFAOYSA-N
XLogP3.92
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
2-N-cyclobutyl-4-N-octyl-6-pentylsulfanyl-1,3,5-triazine-2,4-diamine
CID 19935567
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112907595
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]butanamide
CID 21243162
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
2-N-(4-anilinophenyl)-4-N-hexadecyl-1,3,5-triazine-2,4,6-triamine
CID 110189277
2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 12979265
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929

Frequently Asked Questions

What is the IUPAC name of 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (CID 140514462) is 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is CCCCCCCNc1nc(N)nc(NC2CCC(SC)CC2)n1.
What is the InChIKey of 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is TZAACWDXTGVDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6S/c1-3-4-5-6-7-12-19-16-21-15(18)22-17(23-16)20-13-8-10-14(24-2)11-9-13/h13-14H,3-12H2,1-2H3,(H4,18,19,20,21,22,23).
What are the key properties of 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 352.55 g/mol, XLogP of 3.92, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 140514462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).