N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C12H24N2S — CID 115361245

IUPACN-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCCCCNC1=NCC(C)(C)CS1
InChIInChI=1S/C12H24N2S/c1-4-5-6-7-8-13-11-14-9-12(2,3)10-15-11/h4-10H2,1-3H3,(H,13,14)
InChIKeyQCFSKHCSLZKBTE-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.29
Rot. Bonds5

About N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361245) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361245
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCCCCNC1=NCC(C)(C)CS1
InChIInChI=1S/C12H24N2S/c1-4-5-6-7-8-13-11-14-9-12(2,3)10-15-11/h4-10H2,1-3H3,(H,13,14)
InChIKeyQCFSKHCSLZKBTE-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.29
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

5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 82943455
5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115520973
5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294282
5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361656
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361644
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
CID 115361264
ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
CID 115361499
N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115407841
5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361640
N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361472
5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361810

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361245) is N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CCCCCCNC1=NCC(C)(C)CS1.
What is the InChIKey of N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QCFSKHCSLZKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-4-5-6-7-8-13-11-14-9-12(2,3)10-15-11/h4-10H2,1-3H3,(H,13,14).
What are the key properties of N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).