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

C12H22N2S — CID 81015805

IUPACN-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1csc(C)n1
InChIInChI=1S/C12H22N2S/c1-5-13-7-10(3)9(2)6-12-8-15-11(4)14-12/h8-10,13H,5-7H2,1-4H3
InChIKeyWKEBUYZKTSXZEE-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.88
Rot. Bonds6

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

N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (PubChem CID 81015805) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
PubChem CID81015805
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCCNCC(C)C(C)Cc1csc(C)n1
InChIInChI=1S/C12H22N2S/c1-5-13-7-10(3)9(2)6-12-8-15-11(4)14-12/h8-10,13H,5-7H2,1-4H3
InChIKeyWKEBUYZKTSXZEE-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79442011
[3-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105214739
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 104996898
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 104997067
4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015481
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (CID 81015805) is N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is CCNCC(C)C(C)Cc1csc(C)n1.
What is the InChIKey of N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The InChIKey is WKEBUYZKTSXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-13-7-10(3)9(2)6-12-8-15-11(4)14-12/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is sourced from PubChem (CID 81015805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).