2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine

C15H28N2OS — CID 55107183

IUPAC2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CNCCOC)Cc1cscn1
InChIInChI=1S/C15H28N2OS/c1-4-6-7-15(5-2,12-16-8-9-18-3)10-14-11-19-13-17-14/h11,13,16H,4-10,12H2,1-3H3
InChIKeyYLOZJNJWTBCXLG-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.51
Rot. Bonds11

About 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine (PubChem CID 55107183) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine
PubChem CID55107183
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CNCCOC)Cc1cscn1
InChIInChI=1S/C15H28N2OS/c1-4-6-7-15(5-2,12-16-8-9-18-3)10-14-11-19-13-17-14/h11,13,16H,4-10,12H2,1-3H3
InChIKeyYLOZJNJWTBCXLG-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.51
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 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine (CID 55107183) is 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine is CCCCC(CC)(CNCCOC)Cc1cscn1.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
The InChIKey is YLOZJNJWTBCXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-6-7-15(5-2,12-16-8-9-18-3)10-14-11-19-13-17-14/h11,13,16H,4-10,12H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 3.51, 11 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-4-ylmethyl)hexan-1-amine is sourced from PubChem (CID 55107183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).