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

C12H22N2S — CID 104996898

IUPACN,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
SMILESCCCC(C)C(Cc1csc(C)n1)NC
InChIInChI=1S/C12H22N2S/c1-5-6-9(2)12(13-4)7-11-8-15-10(3)14-11/h8-9,12-13H,5-7H2,1-4H3
InChIKeyMKHJNGRJSQKOBI-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.02
Rot. Bonds6

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

N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine (PubChem CID 104996898) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
PubChem CID104996898
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
SMILESCCCC(C)C(Cc1csc(C)n1)NC
InChIInChI=1S/C12H22N2S/c1-5-6-9(2)12(13-4)7-11-8-15-10(3)14-11/h8-9,12-13H,5-7H2,1-4H3
InChIKeyMKHJNGRJSQKOBI-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
[3-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105214739
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81015805
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 116718491
N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312071
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

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
The IUPAC name of N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine (CID 104996898) is N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine is CCCC(C)C(Cc1csc(C)n1)NC.
What is the InChIKey of N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
The InChIKey is MKHJNGRJSQKOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-6-9(2)12(13-4)7-11-8-15-10(3)14-11/h8-9,12-13H,5-7H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine is sourced from PubChem (CID 104996898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).