N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine

C11H21N3S — CID 65272984

IUPACN-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(C)ns1)C(C)(C)C
InChIInChI=1S/C11H21N3S/c1-6-12-9(11(3,4)5)7-10-13-8(2)14-15-10/h9,12H,6-7H2,1-5H3
InChIKeyOABINCTVGKKCFY-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine

N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65272984) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65272984
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(C)ns1)C(C)(C)C
InChIInChI=1S/C11H21N3S/c1-6-12-9(11(3,4)5)7-10-13-8(2)14-15-10/h9,12H,6-7H2,1-5H3
InChIKeyOABINCTVGKKCFY-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65272984) is N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is CCNC(Cc1nc(C)ns1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is OABINCTVGKKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-6-12-9(11(3,4)5)7-10-13-8(2)14-15-10/h9,12H,6-7H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65272984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).