2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine

C13H24N2OS — CID 112644117

IUPAC2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1cncs1
InChIInChI=1S/C13H24N2OS/c1-4-13(5-2,10-14-6-7-16-3)8-12-9-15-11-17-12/h9,11,14H,4-8,10H2,1-3H3
InChIKeyMKNSOYQLQPKCCA-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.73
Rot. Bonds9

About 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine (PubChem CID 112644117) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
PubChem CID112644117
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1cncs1
InChIInChI=1S/C13H24N2OS/c1-4-13(5-2,10-14-6-7-16-3)8-12-9-15-11-17-12/h9,11,14H,4-8,10H2,1-3H3
InChIKeyMKNSOYQLQPKCCA-UHFFFAOYSA-N
XLogP2.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.73
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-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
CID 112645394
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725440
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 106869532
2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053196
N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
ethane;5-(methoxymethyl)-1,3-thiazole
CID 144576341
2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine (CID 112644117) is 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine is CCC(CC)(CNCCOC)Cc1cncs1.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The InChIKey is MKNSOYQLQPKCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-13(5-2,10-14-6-7-16-3)8-12-9-15-11-17-12/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine has a molecular weight of 256.41 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 112644117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).