2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

C13H24N2S — CID 83160211

IUPAC2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCCCNCC(C)(Cc1nccs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-5-6-14-10-13(4,11(2)3)9-12-15-7-8-16-12/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyUNWLHWFIWWBVEE-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.35
Rot. Bonds7

About 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (PubChem CID 83160211) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
PubChem CID83160211
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCCCNCC(C)(Cc1nccs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-5-6-14-10-13(4,11(2)3)9-12-15-7-8-16-12/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyUNWLHWFIWWBVEE-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (CID 83160211) is 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is CCCNCC(C)(Cc1nccs1)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The InChIKey is UNWLHWFIWWBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-6-14-10-13(4,11(2)3)9-12-15-7-8-16-12/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 83160211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).