N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine

C12H22N2S — CID 105140195

IUPACN,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)C)c1scnc1C
InChIInChI=1S/C12H22N2S/c1-9-11(15-8-14-9)10(13-5)6-7-12(2,3)4/h8,10,13H,6-7H2,1-5H3
InChIKeyDYGKZSWOLZGFNU-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.54
Rot. Bonds4

About N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine

N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine (PubChem CID 105140195) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
PubChem CID105140195
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)C)c1scnc1C
InChIInChI=1S/C12H22N2S/c1-9-11(15-8-14-9)10(13-5)6-7-12(2,3)4/h8,10,13H,6-7H2,1-5H3
InChIKeyDYGKZSWOLZGFNU-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150397
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
CID 105112701
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
1-(4-methyl-1,3-thiazol-5-yl)pentylhydrazine
CID 105293729
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161053
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
[5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-5-yl)pentyl]hydrazine
CID 105328896
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154961
N,4,4-trimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878064
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
CID 105158458

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
The IUPAC name of N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine (CID 105140195) is N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
The canonical SMILES for N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine is CNC(CCC(C)(C)C)c1scnc1C.
What is the InChIKey of N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
The InChIKey is DYGKZSWOLZGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-11(15-8-14-9)10(13-5)6-7-12(2,3)4/h8,10,13H,6-7H2,1-5H3.
What are the key properties of N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105140195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).