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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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).