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

C14H26N2OS — CID 62544276

IUPACN-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NCCOC)c1nc(C(C)C)cs1
InChIInChI=1S/C14H26N2OS/c1-6-11(4)13(15-7-8-17-5)14-16-12(9-18-14)10(2)3/h9-11,13,15H,6-8H2,1-5H3
InChIKeySMKDVNYLKMYARN-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.59
Rot. Bonds8

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

N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 62544276) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID62544276
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NCCOC)c1nc(C(C)C)cs1
InChIInChI=1S/C14H26N2OS/c1-6-11(4)13(15-7-8-17-5)14-16-12(9-18-14)10(2)3/h9-11,13,15H,6-8H2,1-5H3
InChIKeySMKDVNYLKMYARN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
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
3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 106676122
N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62543454
2-ethyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61334636
N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 114270635
2-(3-methylheptan-4-yl)-4-propan-2-yl-1,3-thiazole
CID 123588816
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62543626
N-ethyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331441
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine
CID 116502423
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
CID 62543117
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 62544746

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine (CID 62544276) is N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine is CCC(C)C(NCCOC)c1nc(C(C)C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is SMKDVNYLKMYARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-11(4)13(15-7-8-17-5)14-16-12(9-18-14)10(2)3/h9-11,13,15H,6-8H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine?
N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.59, 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-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 62544276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).