N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine

C14H26N2OS — CID 83151789

IUPACN-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
SMILESCOCCNCC(C)(Cc1csc(C)n1)C(C)C
InChIInChI=1S/C14H26N2OS/c1-11(2)14(4,10-15-6-7-17-5)8-13-9-18-12(3)16-13/h9,11,15H,6-8,10H2,1-5H3
InChIKeyTZHAYDBXHFYCHC-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.89
Rot. Bonds8

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

N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine (PubChem CID 83151789) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
PubChem CID83151789
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
SMILESCOCCNCC(C)(Cc1csc(C)n1)C(C)C
InChIInChI=1S/C14H26N2OS/c1-11(2)14(4,10-15-6-7-17-5)8-13-9-18-12(3)16-13/h9,11,15H,6-8,10H2,1-5H3
InChIKeyTZHAYDBXHFYCHC-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine with MolForge

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Related Compounds

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150871
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81033944
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83149836
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 104794766
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79433561
N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61284998

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine (CID 83151789) is N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine is COCCNCC(C)(Cc1csc(C)n1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
The InChIKey is TZHAYDBXHFYCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(2)14(4,10-15-6-7-17-5)8-13-9-18-12(3)16-13/h9,11,15H,6-8,10H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 2.89, 8 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-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 83151789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).