N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine

C13H24N2S — CID 116967394

IUPACN,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCNCC(c1nc(CC(C)C)cs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-9(2)6-11-8-16-13(15-11)12(7-14-5)10(3)4/h8-10,12,14H,6-7H2,1-5H3
InChIKeyMTUBPDHFFGFKDJ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.30
Rot. Bonds6

About N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine

N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 116967394) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID116967394
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCNCC(c1nc(CC(C)C)cs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-9(2)6-11-8-16-13(15-11)12(7-14-5)10(3)4/h8-10,12,14H,6-7H2,1-5H3
InChIKeyMTUBPDHFFGFKDJ-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine (CID 116967394) is N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine is CNCC(c1nc(CC(C)C)cs1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is MTUBPDHFFGFKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)6-11-8-16-13(15-11)12(7-14-5)10(3)4/h8-10,12,14H,6-7H2,1-5H3.
What are the key properties of N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine?
N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 116967394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).