N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine

C15H28N2S — CID 114201046

IUPACN-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine
SMILESCCNC(c1nc(CC)c(C)s1)C(C)CC(C)C
InChIInChI=1S/C15H28N2S/c1-7-13-12(6)18-15(17-13)14(16-8-2)11(5)9-10(3)4/h10-11,14,16H,7-9H2,1-6H3
InChIKeyGYLJCJNUTXROTC-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.35
Rot. Bonds7

About N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine

N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine (PubChem CID 114201046) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine
PubChem CID114201046
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine
SMILESCCNC(c1nc(CC)c(C)s1)C(C)CC(C)C
InChIInChI=1S/C15H28N2S/c1-7-13-12(6)18-15(17-13)14(16-8-2)11(5)9-10(3)4/h10-11,14,16H,7-9H2,1-6H3
InChIKeyGYLJCJNUTXROTC-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine (CID 114201046) is N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine is CCNC(c1nc(CC)c(C)s1)C(C)CC(C)C.
What is the InChIKey of N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine?
The InChIKey is GYLJCJNUTXROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-7-13-12(6)18-15(17-13)14(16-8-2)11(5)9-10(3)4/h10-11,14,16H,7-9H2,1-6H3.
What are the key properties of N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine?
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 114201046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).