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

C15H28N2O2S — CID 106676122

IUPAC3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCOCCNC(CC(C)(C)OC)c1nc(C(C)C)cs1
InChIInChI=1S/C15H28N2O2S/c1-11(2)13-10-20-14(17-13)12(16-7-8-18-5)9-15(3,4)19-6/h10-12,16H,7-9H2,1-6H3
InChIKeyIKYQDHKWIJRRFT-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.36
Rot. Bonds9

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

3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 106676122) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID106676122
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCOCCNC(CC(C)(C)OC)c1nc(C(C)C)cs1
InChIInChI=1S/C15H28N2O2S/c1-11(2)13-10-20-14(17-13)12(16-7-8-18-5)9-15(3,4)19-6/h10-12,16H,7-9H2,1-6H3
InChIKeyIKYQDHKWIJRRFT-UHFFFAOYSA-N
XLogP3.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62543454
N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62543626
N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 106676092
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 106676094
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 114270635
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-1-amine
CID 61331622
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
CID 106676115
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 55156590
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 62544746

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine (CID 106676122) is 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine is COCCNC(CC(C)(C)OC)c1nc(C(C)C)cs1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is IKYQDHKWIJRRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-11(2)13-10-20-14(17-13)12(16-7-8-18-5)9-15(3,4)19-6/h10-12,16H,7-9H2,1-6H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 106676122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).