N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

C14H28N2OS — CID 106250611

IUPACN-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCCOCCNC1=NCC(CC)(CC)CS1
InChIInChI=1S/C14H28N2OS/c1-4-7-9-17-10-8-15-13-16-11-14(5-2,6-3)12-18-13/h4-12H2,1-3H3,(H,15,16)
InChIKeyQZCCOYDGCHJFQR-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.30
Rot. Bonds8

About N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250611) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250611
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCCOCCNC1=NCC(CC)(CC)CS1
InChIInChI=1S/C14H28N2OS/c1-4-7-9-17-10-8-15-13-16-11-14(5-2,6-3)12-18-13/h4-12H2,1-3H3,(H,15,16)
InChIKeyQZCCOYDGCHJFQR-UHFFFAOYSA-N
XLogP3.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 106250611) is N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is CCCCOCCNC1=NCC(CC)(CC)CS1.
What is the InChIKey of N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QZCCOYDGCHJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-7-9-17-10-8-15-13-16-11-14(5-2,6-3)12-18-13/h4-12H2,1-3H3,(H,15,16).
What are the key properties of N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 272.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).