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

C19H37N5S — CID 121399676

IUPACN-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(C)nc(NCCNC(C)C)n1
InChIInChI=1S/C19H37N5S/c1-5-6-7-8-9-10-11-12-15-25-19-23-17(4)22-18(24-19)21-14-13-20-16(2)3/h16,20H,5-15H2,1-4H3,(H,21,22,23,24)
InChIKeyGMTZLGTVTIKBTD-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.82
Rot. Bonds15

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

N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 121399676) has the molecular formula C19H37N5S and a molecular weight of 367.61 g/mol. Its IUPAC name is N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID121399676
Molecular FormulaC19H37N5S
Molecular Weight367.61 g/mol
Exact Mass367.28
IUPAC NameN-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(C)nc(NCCNC(C)C)n1
InChIInChI=1S/C19H37N5S/c1-5-6-7-8-9-10-11-12-15-25-19-23-17(4)22-18(24-19)21-14-13-20-16(2)3/h16,20H,5-15H2,1-4H3,(H,21,22,23,24)
InChIKeyGMTZLGTVTIKBTD-UHFFFAOYSA-N
XLogP4.82
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.82
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'-propan-2-ylethane-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'-(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-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-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 145028934
3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine
CID 157289723
N',N'-diethyl-N-(4-hexylsulfanyl-6-undecylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 168116075
2-Amino-2-[4-(propylamino)-6-(tetradecylamino)-1,3,5-triazin-2-yl]ethanethiol
CID 173165605

Frequently Asked Questions

What is the IUPAC name of N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine (CID 121399676) is N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine is CCCCCCCCCCSc1nc(C)nc(NCCNC(C)C)n1.
What is the InChIKey of N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is GMTZLGTVTIKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5S/c1-5-6-7-8-9-10-11-12-15-25-19-23-17(4)22-18(24-19)21-14-13-20-16(2)3/h16,20H,5-15H2,1-4H3,(H,21,22,23,24).
What are the key properties of N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 367.61 g/mol, XLogP of 4.82, 15 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'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 121399676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).