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

C17H33N5S — CID 118932888

IUPACN'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(C)nc(NCCNC)n1
InChIInChI=1S/C17H33N5S/c1-4-5-6-7-8-9-10-11-14-23-17-21-15(2)20-16(22-17)19-13-12-18-3/h18H,4-14H2,1-3H3,(H,19,20,21,22)
InChIKeyIWCBHWMJBQZVFM-UHFFFAOYSA-N
MW339.55 g/mol
LogP4.04
Rot. Bonds14

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

N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine (PubChem CID 118932888) has the molecular formula C17H33N5S and a molecular weight of 339.55 g/mol. Its IUPAC name is N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
PubChem CID118932888
Molecular FormulaC17H33N5S
Molecular Weight339.55 g/mol
Exact Mass339.25
IUPAC NameN'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(C)nc(NCCNC)n1
InChIInChI=1S/C17H33N5S/c1-4-5-6-7-8-9-10-11-14-23-17-21-15(2)20-16(22-17)19-13-12-18-3/h18H,4-14H2,1-3H3,(H,19,20,21,22)
InChIKeyIWCBHWMJBQZVFM-UHFFFAOYSA-N
XLogP4.04
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.04
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)-N-methylethane-1,2-diamine with MolForge

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Related Compounds

4,6-bis(hexylsulfanyl)-N-pentyl-1,3,5-triazin-2-amine
CID 19935568
2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[4-(methylamino)-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-pentylsulfanyl-1,3,5-triazine-2,4-diamine
CID 118933409
2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[4-(methylamino)-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethanethiol
CID 118921041
6-ethylsulfanyl-2-N-[2-[(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 126730838
2-N-cyclobutyl-4-N-octyl-6-pentylsulfanyl-1,3,5-triazine-2,4-diamine
CID 19935567
6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 145028921
4-chloro-N-methyl-6-octylsulfanyl-1,3,5-triazin-2-amine
CID 167281206
2-N,4-N-dibenzyl-6-dodecylsulfanyl-1,3,5-triazine-2,4-diamine
CID 159127421
3-[[4-[2-[[4-(2-carboxyethylsulfanyl)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-6-methyl-1,3,5-triazin-2-yl]sulfanyl]propanoic acid;ethane
CID 145028945
6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80884317
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
3-[[4-(2-aminoethylamino)-6-methyl-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
CID 126546656

Frequently Asked Questions

What is the IUPAC name of N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine (CID 118932888) is N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine is CCCCCCCCCCSc1nc(C)nc(NCCNC)n1.
What is the InChIKey of N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is IWCBHWMJBQZVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5S/c1-4-5-6-7-8-9-10-11-14-23-17-21-15(2)20-16(22-17)19-13-12-18-3/h18H,4-14H2,1-3H3,(H,19,20,21,22).
What are the key properties of N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine?
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 339.55 g/mol, XLogP of 4.04, 14 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)-N-methylethane-1,2-diamine is sourced from PubChem (CID 118932888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).