N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine

C15H26N2OS — CID 64751515

IUPACN-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCOCCNC1(c2nc(C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C15H26N2OS/c1-11-7-12(2)9-15(8-11,16-5-6-18-4)14-17-13(3)10-19-14/h10-12,16H,5-9H2,1-4H3
InChIKeyVOHWBOODYVNNII-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.34
Rot. Bonds5

About N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine

N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 64751515) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID64751515
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCOCCNC1(c2nc(C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C15H26N2OS/c1-11-7-12(2)9-15(8-11,16-5-6-18-4)14-17-13(3)10-19-14/h10-12,16H,5-9H2,1-4H3
InChIKeyVOHWBOODYVNNII-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.34
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)-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64751520
N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074914
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 64514285
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 65050193
N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 106823127
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64751126
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 62544284
N-ethyl-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64753478
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 62544746
N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 62542274
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 62542954
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 64515479

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 64751515) is N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine is COCCNC1(c2nc(C)cs2)CC(C)CC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is VOHWBOODYVNNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11-7-12(2)9-15(8-11,16-5-6-18-4)14-17-13(3)10-19-14/h10-12,16H,5-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64751515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).