N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine

C13H24N2OS — CID 55084502

IUPACN-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCOCCNC(C)(CCC(C)C)c1nccs1
InChIInChI=1S/C13H24N2OS/c1-11(2)5-6-13(3,15-7-9-16-4)12-14-8-10-17-12/h8,10-11,15H,5-7,9H2,1-4H3
InChIKeyHXXYJBIMXXPHGK-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.03
Rot. Bonds8

About N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine

N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 55084502) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine
PubChem CID55084502
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCOCCNC(C)(CCC(C)C)c1nccs1
InChIInChI=1S/C13H24N2OS/c1-11(2)5-6-13(3,15-7-9-16-4)12-14-8-10-17-12/h8,10-11,15H,5-7,9H2,1-4H3
InChIKeyHXXYJBIMXXPHGK-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.03
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)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine (CID 55084502) is N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine is COCCNC(C)(CCC(C)C)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is HXXYJBIMXXPHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11(2)5-6-13(3,15-7-9-16-4)12-14-8-10-17-12/h8,10-11,15H,5-7,9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 55084502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).