4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine

C16H30N4S — CID 129046436

IUPAC4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCCCSc1nc(C)nc(NCC)n1
InChIInChI=1S/C16H30N4S/c1-4-6-7-8-9-10-11-12-13-21-16-19-14(3)18-15(20-16)17-5-2/h4-13H2,1-3H3,(H,17,18,19,20)
InChIKeyVFUYBXVLRYOFRI-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.84
Rot. Bonds12

About 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine

4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine (PubChem CID 129046436) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine
PubChem CID129046436
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCCCSc1nc(C)nc(NCC)n1
InChIInChI=1S/C16H30N4S/c1-4-6-7-8-9-10-11-12-13-21-16-19-14(3)18-15(20-16)17-5-2/h4-13H2,1-3H3,(H,17,18,19,20)
InChIKeyVFUYBXVLRYOFRI-UHFFFAOYSA-N
XLogP4.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-dioctyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 19935559
6-decylsulfanyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 19935565
N-ethyl-4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
CID 68165190
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 118921037
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 118932888
N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 121399676
N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 126546654
N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 126546711
N,4-dimethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 144997179
N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 145028934
N,4-dimethyl-6-propylsulfanyl-1,3,5-triazin-2-amine;ethane
CID 145028954
3-(4-Chloro-6-decylsulfanyl-1,3,5-triazin-2-yl)propan-1-amine
CID 148082373

Frequently Asked Questions

What is the IUPAC name of 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine (CID 129046436) is 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine is CCCCCCCCCCSc1nc(C)nc(NCC)n1.
What is the InChIKey of 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is VFUYBXVLRYOFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-4-6-7-8-9-10-11-12-13-21-16-19-14(3)18-15(20-16)17-5-2/h4-13H2,1-3H3,(H,17,18,19,20).
What are the key properties of 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 310.51 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 129046436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).