N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine

C14H26N2OS — CID 55084457

IUPACN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine
SMILESCCCCCCC(C)(NCCOC)c1nccs1
InChIInChI=1S/C14H26N2OS/c1-4-5-6-7-8-14(2,16-9-11-17-3)13-15-10-12-18-13/h10,12,16H,4-9,11H2,1-3H3
InChIKeyHLYXHUMAVBLWNH-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.56
Rot. Bonds10

About N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine

N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine (PubChem CID 55084457) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine
PubChem CID55084457
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine
SMILESCCCCCCC(C)(NCCOC)c1nccs1
InChIInChI=1S/C14H26N2OS/c1-4-5-6-7-8-14(2,16-9-11-17-3)13-15-10-12-18-13/h10,12,16H,4-9,11H2,1-3H3
InChIKeyHLYXHUMAVBLWNH-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.56
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-(1,3-thiazol-2-yl)octan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine (CID 55084457) is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine is CCCCCCC(C)(NCCOC)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine?
The InChIKey is HLYXHUMAVBLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-5-6-7-8-14(2,16-9-11-17-3)13-15-10-12-18-13/h10,12,16H,4-9,11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine?
N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)octan-2-amine is sourced from PubChem (CID 55084457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).