N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine

C12H22N2S — CID 79823863

IUPACN,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
SMILESCNC(CCCc1nccs1)C(C)(C)C
InChIInChI=1S/C12H22N2S/c1-12(2,3)10(13-4)6-5-7-11-14-8-9-15-11/h8-10,13H,5-7H2,1-4H3
InChIKeyKWXRWWCOMGYJRM-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.10
Rot. Bonds5

About N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine

N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine (PubChem CID 79823863) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
PubChem CID79823863
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
SMILESCNC(CCCc1nccs1)C(C)(C)C
InChIInChI=1S/C12H22N2S/c1-12(2,3)10(13-4)6-5-7-11-14-8-9-15-11/h8-10,13H,5-7H2,1-4H3
InChIKeyKWXRWWCOMGYJRM-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823975
5-(1,3-thiazol-2-yl)pentan-2-ol
CID 79824086
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626697
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824308
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
CID 115889738
4-[2-(1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115971769

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
The IUPAC name of N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine (CID 79823863) is N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
The canonical SMILES for N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine is CNC(CCCc1nccs1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
The InChIKey is KWXRWWCOMGYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-12(2,3)10(13-4)6-5-7-11-14-8-9-15-11/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine has a molecular weight of 226.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine is sourced from PubChem (CID 79823863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).