N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

C16H31N5S — CID 118921037

IUPACN'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(C)nc(NCCN)n1
InChIInChI=1S/C16H31N5S/c1-3-4-5-6-7-8-9-10-13-22-16-20-14(2)19-15(21-16)18-12-11-17/h3-13,17H2,1-2H3,(H,18,19,20,21)
InChIKeyKQEIARYNECQMBR-UHFFFAOYSA-N
MW325.53 g/mol
LogP3.78
Rot. Bonds13

About N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (PubChem CID 118921037) has the molecular formula C16H31N5S and a molecular weight of 325.53 g/mol. Its IUPAC name is N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID118921037
Molecular FormulaC16H31N5S
Molecular Weight325.53 g/mol
Exact Mass325.23
IUPAC NameN'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(C)nc(NCCN)n1
InChIInChI=1S/C16H31N5S/c1-3-4-5-6-7-8-9-10-13-22-16-20-14(2)19-15(21-16)18-12-11-17/h3-13,17H2,1-2H3,(H,18,19,20,21)
InChIKeyKQEIARYNECQMBR-UHFFFAOYSA-N
XLogP3.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

4-[(Cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 22349811
N-ethyl-4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
CID 68165190
N'-(4-chloro-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 118920928
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
4-decylsulfanyl-N-ethyl-6-methyl-1,3,5-triazin-2-amine
CID 129046436
N'-(4-decylsulfanyl-6-iodo-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 129046484
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 N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (CID 118921037) is N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is CCCCCCCCCCSc1nc(C)nc(NCCN)n1.
What is the InChIKey of N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The InChIKey is KQEIARYNECQMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5S/c1-3-4-5-6-7-8-9-10-13-22-16-20-14(2)19-15(21-16)18-12-11-17/h3-13,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine has a molecular weight of 325.53 g/mol, XLogP of 3.78, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 118921037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).