2-(6-methyldodecan-6-yl)thiazin-3-amine

C17H32N2S — CID 170308997

IUPAC2-(6-methyldodecan-6-yl)thiazin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1SC=CC=C1N
InChIInChI=1S/C17H32N2S/c1-4-6-8-10-14-17(3,13-9-7-5-2)19-16(18)12-11-15-20-19/h11-12,15H,4-10,13-14,18H2,1-3H3
InChIKeyJMKLVBADWLNJPL-UHFFFAOYSA-N
MW296.52 g/mol
LogP5.57
Rot. Bonds10

About 2-(6-methyldodecan-6-yl)thiazin-3-amine

2-(6-methyldodecan-6-yl)thiazin-3-amine (PubChem CID 170308997) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 2-(6-methyldodecan-6-yl)thiazin-3-amine.

Molecular Properties

Compound Name2-(6-methyldodecan-6-yl)thiazin-3-amine
PubChem CID170308997
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name2-(6-methyldodecan-6-yl)thiazin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1SC=CC=C1N
InChIInChI=1S/C17H32N2S/c1-4-6-8-10-14-17(3,13-9-7-5-2)19-16(18)12-11-15-20-19/h11-12,15H,4-10,13-14,18H2,1-3H3
InChIKeyJMKLVBADWLNJPL-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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-methyldodecan-6-yl)-1,4-thiazin-3-amine
CID 170314188
2-(6-methyldodecan-6-yl)thiazin-5-amine
CID 170316475
1-(7-methyltridecan-7-yl)-2,3-dihydropyrrol-5-amine
CID 170309499
2-phenyldecan-2-amine
CID 63408050
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-(6-methyldodecan-6-yl)pyrazolidin-3-amine
CID 170307894
2-phenylicosan-2-amine;hydrochloride
CID 173065845
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyldodecan-6-yl)thiazin-3-amine?
The IUPAC name of 2-(6-methyldodecan-6-yl)thiazin-3-amine (CID 170308997) is 2-(6-methyldodecan-6-yl)thiazin-3-amine.
What is the SMILES notation for 2-(6-methyldodecan-6-yl)thiazin-3-amine?
The canonical SMILES for 2-(6-methyldodecan-6-yl)thiazin-3-amine is CCCCCCC(C)(CCCCC)N1SC=CC=C1N.
What is the InChIKey of 2-(6-methyldodecan-6-yl)thiazin-3-amine?
The InChIKey is JMKLVBADWLNJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-4-6-8-10-14-17(3,13-9-7-5-2)19-16(18)12-11-15-20-19/h11-12,15H,4-10,13-14,18H2,1-3H3.
What are the key properties of 2-(6-methyldodecan-6-yl)thiazin-3-amine?
2-(6-methyldodecan-6-yl)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 2-(6-methyldodecan-6-yl)thiazin-3-amine is sourced from PubChem (CID 170308997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).