5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H24N2OS — CID 65036375

IUPAC5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)CCOCCNC1=NCC(C)CS1
InChIInChI=1S/C12H24N2OS/c1-10(2)4-6-15-7-5-13-12-14-8-11(3)9-16-12/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeySVNXCWNCPBEERW-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.38
Rot. Bonds6

About 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036375) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036375
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)CCOCCNC1=NCC(C)CS1
InChIInChI=1S/C12H24N2OS/c1-10(2)4-6-15-7-5-13-12-14-8-11(3)9-16-12/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeySVNXCWNCPBEERW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035435
N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916878
N-[2-(2,2-difluoroethoxy)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 105916903
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916906
5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 113492478
5,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361648
2-Butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine
CID 163765314
N-(2-methoxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148926
N-(1-methoxypropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148945
N-(2-ethoxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43591357
N-(2-ethoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591371
N-(1-methoxypropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61246534

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036375) is 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)CCOCCNC1=NCC(C)CS1.
What is the InChIKey of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SVNXCWNCPBEERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)4-6-15-7-5-13-12-14-8-11(3)9-16-12/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 244.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylbutoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).