N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine

C11H20N2S — CID 61332299

IUPACN,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCNC(C)(CCC(C)C)c1nccs1
InChIInChI=1S/C11H20N2S/c1-9(2)5-6-11(3,12-4)10-13-7-8-14-10/h7-9,12H,5-6H2,1-4H3
InChIKeyVGEWHRYBNDHHNU-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.01
Rot. Bonds5

About N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine

N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 61332299) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine
PubChem CID61332299
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCNC(C)(CCC(C)C)c1nccs1
InChIInChI=1S/C11H20N2S/c1-9(2)5-6-11(3,12-4)10-13-7-8-14-10/h7-9,12H,5-6H2,1-4H3
InChIKeyVGEWHRYBNDHHNU-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine (CID 61332299) is N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine is CNC(C)(CCC(C)C)c1nccs1.
What is the InChIKey of N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is VGEWHRYBNDHHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)5-6-11(3,12-4)10-13-7-8-14-10/h7-9,12H,5-6H2,1-4H3.
What are the key properties of N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine?
N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 61332299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).