N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine

C15H28N2S — CID 106045197

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
SMILESCCCCCCCCCNCCc1csc(C)n1
InChIInChI=1S/C15H28N2S/c1-3-4-5-6-7-8-9-11-16-12-10-15-13-18-14(2)17-15/h13,16H,3-12H2,1-2H3
InChIKeyRCUDQLHCWNQBNR-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.33
Rot. Bonds11

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine (PubChem CID 106045197) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
PubChem CID106045197
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
SMILESCCCCCCCCCNCCc1csc(C)n1
InChIInChI=1S/C15H28N2S/c1-3-4-5-6-7-8-9-11-16-12-10-15-13-18-14(2)17-15/h13,16H,3-12H2,1-2H3
InChIKeyRCUDQLHCWNQBNR-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-octylguanidine;hydroiodide
CID 111041287
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylbutane-1,4-diamine
CID 62428102
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 106035988
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 106045094

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine (CID 106045197) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine is CCCCCCCCCNCCc1csc(C)n1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine?
The InChIKey is RCUDQLHCWNQBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-4-5-6-7-8-9-11-16-12-10-15-13-18-14(2)17-15/h13,16H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine is sourced from PubChem (CID 106045197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).