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

C12H22N2OS — CID 62718311

IUPACN-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCCC(C)(CNCCOC)Cc1cscn1
InChIInChI=1S/C12H22N2OS/c1-4-12(2,9-13-5-6-15-3)7-11-8-16-10-14-11/h8,10,13H,4-7,9H2,1-3H3
InChIKeyJIQBKIZNWORHJS-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.34
Rot. Bonds8

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

N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 62718311) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID62718311
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCCC(C)(CNCCOC)Cc1cscn1
InChIInChI=1S/C12H22N2OS/c1-4-12(2,9-13-5-6-15-3)7-11-8-16-10-14-11/h8,10,13H,4-7,9H2,1-3H3
InChIKeyJIQBKIZNWORHJS-UHFFFAOYSA-N
XLogP2.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 62718311) is N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is CCC(C)(CNCCOC)Cc1cscn1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is JIQBKIZNWORHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-12(2,9-13-5-6-15-3)7-11-8-16-10-14-11/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
N-(2-methoxyethyl)-2-methyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.34, 8 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-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 62718311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).