N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine

C12H22N2OS — CID 62541039

IUPACN-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NCCOC)c1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-5-9(2)11(13-6-7-15-4)12-14-10(3)8-16-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyMLFXJQSWDFHFTF-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.77
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine

N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 62541039) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID62541039
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NCCOC)c1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-5-9(2)11(13-6-7-15-4)12-14-10(3)8-16-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyMLFXJQSWDFHFTF-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.77
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

N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 62544276
N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 114270635
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
N-[(2,5-dimethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542109
N-[(1,5-dimethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 79584469
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 114859249
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542277
N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 104816971
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine
CID 116502423
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (CID 62541039) is N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is CCC(C)C(NCCOC)c1nc(C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is MLFXJQSWDFHFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-9(2)11(13-6-7-15-4)12-14-10(3)8-16-12/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 62541039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).