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

C12H22N2S — CID 105015031

IUPACN-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCCNC(Cc1nccs1)CC(C)CC
InChIInChI=1S/C12H22N2S/c1-4-10(3)8-11(13-5-2)9-12-14-6-7-15-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyMXPYQKJIWAUJTD-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.10
Rot. Bonds7

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

N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 105015031) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
PubChem CID105015031
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCCNC(Cc1nccs1)CC(C)CC
InChIInChI=1S/C12H22N2S/c1-4-10(3)8-11(13-5-2)9-12-14-6-7-15-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyMXPYQKJIWAUJTD-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N,1-N-dimethyl-3-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 79823508
N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105169125
4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015268
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79825138
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
CID 105030464
5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640
N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79825125
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine (CID 105015031) is N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine is CCNC(Cc1nccs1)CC(C)CC.
What is the InChIKey of N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is MXPYQKJIWAUJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-10(3)8-11(13-5-2)9-12-14-6-7-15-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 105015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).