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

C13H24N2OS — CID 55111391

IUPACN-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
SMILESCOCCNCC(Cc1cscn1)CC(C)C
InChIInChI=1S/C13H24N2OS/c1-11(2)6-12(8-14-4-5-16-3)7-13-9-17-10-15-13/h9-12,14H,4-8H2,1-3H3
InChIKeyAYGLPVCPTFDWIN-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.58
Rot. Bonds9

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

N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine (PubChem CID 55111391) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
PubChem CID55111391
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
SMILESCOCCNCC(Cc1cscn1)CC(C)C
InChIInChI=1S/C13H24N2OS/c1-11(2)6-12(8-14-4-5-16-3)7-13-9-17-10-15-13/h9-12,14H,4-8H2,1-3H3
InChIKeyAYGLPVCPTFDWIN-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine (CID 55111391) is N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine is COCCNCC(Cc1cscn1)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine?
The InChIKey is AYGLPVCPTFDWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11(2)6-12(8-14-4-5-16-3)7-13-9-17-10-15-13/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine?
N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine has a molecular weight of 256.41 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 55111391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).