4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C15H30N2S — CID 106351476

IUPAC4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCCC(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C15H30N2S/c1-6-7-8-9-12(2)16-14-17-13(10-11-18-14)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyQNRSTMJGVDKBIM-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.45
Rot. Bonds5

About 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351476) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351476
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCCC(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C15H30N2S/c1-6-7-8-9-12(2)16-14-17-13(10-11-18-14)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyQNRSTMJGVDKBIM-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.45
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

4-tert-butyl-N-(1-ethoxypropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351625
4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352463
4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351080
4-tert-butyl-N-(1-thiophen-2-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351802
4-tert-butyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351880
5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296707
N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351572
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351280
N-heptan-2-yl-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361327
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351110
4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351382

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351476) is 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCCCC(C)NC1=NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is QNRSTMJGVDKBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-6-7-8-9-12(2)16-14-17-13(10-11-18-14)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 270.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).