3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine

C18H34N4S — CID 157289723

IUPAC3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine
SMILESCCCCCCCCCCSc1nc(C)nc(CCCNC)n1
InChIInChI=1S/C18H34N4S/c1-4-5-6-7-8-9-10-11-15-23-18-21-16(2)20-17(22-18)13-12-14-19-3/h19H,4-15H2,1-3H3
InChIKeyUPCHYTRRFKBHHQ-UHFFFAOYSA-N
MW338.57 g/mol
LogP4.56
Rot. Bonds14

About 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine

3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine (PubChem CID 157289723) has the molecular formula C18H34N4S and a molecular weight of 338.57 g/mol. Its IUPAC name is 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine
PubChem CID157289723
Molecular FormulaC18H34N4S
Molecular Weight338.57 g/mol
Exact Mass338.25
IUPAC Name3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine
SMILESCCCCCCCCCCSc1nc(C)nc(CCCNC)n1
InChIInChI=1S/C18H34N4S/c1-4-5-6-7-8-9-10-11-15-23-18-21-16(2)20-17(22-18)13-12-14-19-3/h19H,4-15H2,1-3H3
InChIKeyUPCHYTRRFKBHHQ-UHFFFAOYSA-N
XLogP4.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-bis(butylsulfanyl)-N-dodecyl-1,3,5-triazin-2-amine
CID 19935555
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
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-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 121399676
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
6-[2-(10-Aminodecylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 140280675
6-[2-(8-Aminooctylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 140280677
6-[2-[18-(Dimethylamino)octadecylsulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 140280679

Frequently Asked Questions

What is the IUPAC name of 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine (CID 157289723) is 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine is CCCCCCCCCCSc1nc(C)nc(CCCNC)n1.
What is the InChIKey of 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine?
The InChIKey is UPCHYTRRFKBHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4S/c1-4-5-6-7-8-9-10-11-15-23-18-21-16(2)20-17(22-18)13-12-14-19-3/h19H,4-15H2,1-3H3.
What are the key properties of 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine?
3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine has a molecular weight of 338.57 g/mol, XLogP of 4.56, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 157289723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).