5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine

C12H24N2OS — CID 82943455

IUPAC5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCOCCCNC1=NCC(C)(C)CS1
InChIInChI=1S/C12H24N2OS/c1-4-7-15-8-5-6-13-11-14-9-12(2,3)10-16-11/h4-10H2,1-3H3,(H,13,14)
InChIKeyGWDLJRJUCKOUBP-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.52
Rot. Bonds6

About 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 82943455) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID82943455
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCOCCCNC1=NCC(C)(C)CS1
InChIInChI=1S/C12H24N2OS/c1-4-7-15-8-5-6-13-11-14-9-12(2,3)10-16-11/h4-10H2,1-3H3,(H,13,14)
InChIKeyGWDLJRJUCKOUBP-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.52
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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Related Compounds

2-[2-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]ethoxy]acetamide
CID 106240287
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
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
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
CID 115361264
N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 114140703
5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine
CID 103364815
N-(2-cyclopentyloxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250913
N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035873
5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 82947352
5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361477

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 82943455) is 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine is CCCOCCCNC1=NCC(C)(C)CS1.
What is the InChIKey of 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is GWDLJRJUCKOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-7-15-8-5-6-13-11-14-9-12(2,3)10-16-11/h4-10H2,1-3H3,(H,13,14).
What are the key properties of 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 244.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 82943455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).