4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine

C17H32N2S — CID 170314188

IUPAC4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1C=CSC=C1N
InChIInChI=1S/C17H32N2S/c1-4-6-8-10-12-17(3,11-9-7-5-2)19-13-14-20-15-16(19)18/h13-15H,4-12,18H2,1-3H3
InChIKeyNWYYSFZTCVJUJQ-UHFFFAOYSA-N
MW296.52 g/mol
LogP5.57
Rot. Bonds10

About 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine

4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine (PubChem CID 170314188) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine.

Molecular Properties

Compound Name4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine
PubChem CID170314188
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1C=CSC=C1N
InChIInChI=1S/C17H32N2S/c1-4-6-8-10-12-17(3,11-9-7-5-2)19-13-14-20-15-16(19)18/h13-15H,4-12,18H2,1-3H3
InChIKeyNWYYSFZTCVJUJQ-UHFFFAOYSA-N
XLogP5.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyldodecan-6-yl)thiazin-5-amine
CID 170316475
2-(6-methyldodecan-6-yl)thiazin-3-amine
CID 170308997
1-(7-methyltridecan-7-yl)-2,3-dihydropyrrol-5-amine
CID 170309499
2-methyloctane-1,2-diamine
CID 43519506
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-amino-3,3-dimethylicosan-2-ol
CID 18539595
2-amino-3,3-dimethyltridecan-2-ol
CID 175034140
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine?
The IUPAC name of 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine (CID 170314188) is 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine.
What is the SMILES notation for 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine?
The canonical SMILES for 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine is CCCCCCC(C)(CCCCC)N1C=CSC=C1N.
What is the InChIKey of 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine?
The InChIKey is NWYYSFZTCVJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-4-6-8-10-12-17(3,11-9-7-5-2)19-13-14-20-15-16(19)18/h13-15H,4-12,18H2,1-3H3.
What are the key properties of 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine?
4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine has a molecular weight of 296.52 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine is sourced from PubChem (CID 170314188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).