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

C15H28N2OS — CID 62540514

IUPACN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine
SMILESCCCCCCCC(C)(NCCOC)c1nccs1
InChIInChI=1S/C15H28N2OS/c1-4-5-6-7-8-9-15(2,17-10-12-18-3)14-16-11-13-19-14/h11,13,17H,4-10,12H2,1-3H3
InChIKeyYKKQYKIKRJXELP-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.95
Rot. Bonds11

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

N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine (PubChem CID 62540514) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine
PubChem CID62540514
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine
SMILESCCCCCCCC(C)(NCCOC)c1nccs1
InChIInChI=1S/C15H28N2OS/c1-4-5-6-7-8-9-15(2,17-10-12-18-3)14-16-11-13-19-14/h11,13,17H,4-10,12H2,1-3H3
InChIKeyYKKQYKIKRJXELP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
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)nonan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine (CID 62540514) is N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine is CCCCCCCC(C)(NCCOC)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine?
The InChIKey is YKKQYKIKRJXELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-5-6-7-8-9-15(2,17-10-12-18-3)14-16-11-13-19-14/h11,13,17H,4-10,12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine?
N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)nonan-2-amine has a molecular weight of 284.47 g/mol, XLogP of 3.95, 11 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)nonan-2-amine is sourced from PubChem (CID 62540514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).