N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine

C15H28N2S — CID 114078531

IUPACN-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1nccs1
InChIInChI=1S/C15H28N2S/c1-3-5-6-7-8-9-10-11-14(16-4-2)15-17-12-13-18-15/h12-14,16H,3-11H2,1-2H3
InChIKeyIVVLZTNGLIEKNM-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.93
Rot. Bonds11

About N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine

N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine (PubChem CID 114078531) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
PubChem CID114078531
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1nccs1
InChIInChI=1S/C15H28N2S/c1-3-5-6-7-8-9-10-11-14(16-4-2)15-17-12-13-18-15/h12-14,16H,3-11H2,1-2H3
InChIKeyIVVLZTNGLIEKNM-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine?
The IUPAC name of N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine (CID 114078531) is N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine.
What is the SMILES notation for N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine?
The canonical SMILES for N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine is CCCCCCCCCC(NCC)c1nccs1.
What is the InChIKey of N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine?
The InChIKey is IVVLZTNGLIEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-5-6-7-8-9-10-11-14(16-4-2)15-17-12-13-18-15/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine?
N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine is sourced from PubChem (CID 114078531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).