2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride

C13H25ClN2S — CID 115607884

IUPAC2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride
SMILESCC(C)c1nc(CCNCC(C)(C)C)cs1.Cl
InChIInChI=1S/C13H24N2S.ClH/c1-10(2)12-15-11(8-16-12)6-7-14-9-13(3,4)5;/h8,10,14H,6-7,9H2,1-5H3;1H
InChIKeyRAXAPUIXNFKLKY-UHFFFAOYSA-N
MW276.88 g/mol
LogP3.87
Rot. Bonds5

About 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride

2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride (PubChem CID 115607884) has the molecular formula C13H25ClN2S and a molecular weight of 276.88 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride
PubChem CID115607884
Molecular FormulaC13H25ClN2S
Molecular Weight276.88 g/mol
Exact Mass276.14
IUPAC Name2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride
SMILESCC(C)c1nc(CCNCC(C)(C)C)cs1.Cl
InChIInChI=1S/C13H24N2S.ClH/c1-10(2)12-15-11(8-16-12)6-7-14-9-13(3,4)5;/h8,10,14H,6-7,9H2,1-5H3;1H
InChIKeyRAXAPUIXNFKLKY-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride with MolForge

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Related Compounds

N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115607889
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119111772
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
2-methyl-1-methylsulfanyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111437048
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111611427
2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol
CID 111449396
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride (CID 115607884) is 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride is CC(C)c1nc(CCNCC(C)(C)C)cs1.Cl.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride?
The InChIKey is RAXAPUIXNFKLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S.ClH/c1-10(2)12-15-11(8-16-12)6-7-14-9-13(3,4)5;/h8,10,14H,6-7,9H2,1-5H3;1H.
What are the key properties of 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride?
2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride has a molecular weight of 276.88 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 115607884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).