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

C13H22N2OS — CID 65050193

IUPACN-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCOCCNC1(c2nc(C)cs2)CCCC1C
InChIInChI=1S/C13H22N2OS/c1-10-5-4-6-13(10,14-7-8-16-3)12-15-11(2)9-17-12/h9-10,14H,4-8H2,1-3H3
InChIKeyLBDLFAJBNYUAOT-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.70
Rot. Bonds5

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

N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 65050193) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID65050193
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCOCCNC1(c2nc(C)cs2)CCCC1C
InChIInChI=1S/C13H22N2OS/c1-10-5-4-6-13(10,14-7-8-16-3)12-15-11(2)9-17-12/h9-10,14H,4-8H2,1-3H3
InChIKeyLBDLFAJBNYUAOT-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.70
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

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
CID 62543641
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 61333826
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64751515
N-(2-methoxyethyl)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 62541742
N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074914
N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 62542274
2-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 106873412
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile
CID 131207555
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045313
N-ethyl-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330634
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 62544284

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine (CID 65050193) is N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine is COCCNC1(c2nc(C)cs2)CCCC1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is LBDLFAJBNYUAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-5-4-6-13(10,14-7-8-16-3)12-15-11(2)9-17-12/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.70, 5 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-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 65050193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).