1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

C13H19NS — CID 79985467

IUPAC1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)C1=CCCC1
InChIInChI=1S/C13H19NS/c1-3-10-8-9-15-13(10)12(14-2)11-6-4-5-7-11/h6,8-9,12,14H,3-5,7H2,1-2H3
InChIKeyZSXWXRUWQCEZFJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.68
Rot. Bonds4

About 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 79985467) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID79985467
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)C1=CCCC1
InChIInChI=1S/C13H19NS/c1-3-10-8-9-15-13(10)12(14-2)11-6-4-5-7-11/h6,8-9,12,14H,3-5,7H2,1-2H3
InChIKeyZSXWXRUWQCEZFJ-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(1E)-cycloocten-1-yl]-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 106650067
1-(cyclopenten-1-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 62079794
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
1-(4,5-dibromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 80533033
1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985540
2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
CID 105013834

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (CID 79985467) is 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccsc1C(NC)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is ZSXWXRUWQCEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-10-8-9-15-13(10)12(14-2)11-6-4-5-7-11/h6,8-9,12,14H,3-5,7H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 221.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79985467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).