N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine

C14H26N2OS — CID 114270635

IUPACN-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCOCCNC(c1nc(C)cs1)C(C)C(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-10-9-18-13(16-10)12(15-7-8-17-6)11(2)14(3,4)5/h9,11-12,15H,7-8H2,1-6H3
InChIKeyJINOAPDQFGUQHY-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.41
Rot. Bonds6

About N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine

N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 114270635) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID114270635
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCOCCNC(c1nc(C)cs1)C(C)C(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-10-9-18-13(16-10)12(15-7-8-17-6)11(2)14(3,4)5/h9,11-12,15H,7-8H2,1-6H3
InChIKeyJINOAPDQFGUQHY-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 62541039
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 62544276
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
N-[(2,5-dimethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542109
N-[(1,5-dimethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 79584469
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 114859249
N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 106676092
N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 104816971
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542277
3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 106676122
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (CID 114270635) is N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is COCCNC(c1nc(C)cs1)C(C)C(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is JINOAPDQFGUQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10-9-18-13(16-10)12(15-7-8-17-6)11(2)14(3,4)5/h9,11-12,15H,7-8H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 114270635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).