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

C19H37N5S — CID 126546711

IUPACN'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(NCCN)nc(C(C)(C)C)n1
InChIInChI=1S/C19H37N5S/c1-5-6-7-8-9-10-11-12-15-25-18-23-16(19(2,3)4)22-17(24-18)21-14-13-20/h5-15,20H2,1-4H3,(H,21,22,23,24)
InChIKeyDKAMJNJZFGIWCL-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.77
Rot. Bonds13

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

N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (PubChem CID 126546711) has the molecular formula C19H37N5S and a molecular weight of 367.61 g/mol. Its IUPAC name is N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID126546711
Molecular FormulaC19H37N5S
Molecular Weight367.61 g/mol
Exact Mass367.28
IUPAC NameN'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCCCCCCCCCSc1nc(NCCN)nc(C(C)(C)C)n1
InChIInChI=1S/C19H37N5S/c1-5-6-7-8-9-10-11-12-15-25-18-23-16(19(2,3)4)22-17(24-18)21-14-13-20/h5-15,20H2,1-4H3,(H,21,22,23,24)
InChIKeyDKAMJNJZFGIWCL-UHFFFAOYSA-N
XLogP4.77
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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
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-Chloro-6-decylsulfanyl-1,3,5-triazin-2-yl)propan-1-amine
CID 148082373
3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine
CID 157289723

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (CID 126546711) is N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is CCCCCCCCCCSc1nc(NCCN)nc(C(C)(C)C)n1.
What is the InChIKey of N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The InChIKey is DKAMJNJZFGIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5S/c1-5-6-7-8-9-10-11-12-15-25-18-23-16(19(2,3)4)22-17(24-18)21-14-13-20/h5-15,20H2,1-4H3,(H,21,22,23,24).
What are the key properties of N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine has a molecular weight of 367.61 g/mol, XLogP of 4.77, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butyl-6-decylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 126546711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).