2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine

C11H21NS — CID 104668727

IUPAC2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine
SMILESCCSCCNCCC1=CCCC1
InChIInChI=1S/C11H21NS/c1-2-13-10-9-12-8-7-11-5-3-4-6-11/h5,12H,2-4,6-10H2,1H3
InChIKeyPDWMHJNURJQNAC-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.83
Rot. Bonds7

About 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine

2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine (PubChem CID 104668727) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine
PubChem CID104668727
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine
SMILESCCSCCNCCC1=CCCC1
InChIInChI=1S/C11H21NS/c1-2-13-10-9-12-8-7-11-5-3-4-6-11/h5,12H,2-4,6-10H2,1H3
InChIKeyPDWMHJNURJQNAC-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
2-[4-(Cyclohexen-1-yl)butylamino]ethanethiol
CID 24837927
2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106174177
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
2-(4-Methylpent-3-en-1-yl)-1,3-thiazolidine
CID 71365936
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
6-Methyl-2,3,4,4a,5,8,9,9a-octahydrocyclohepta[b][1,4]thiazine
CID 91482375
4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)-1,2,3,6-tetrahydropyridine
CID 123222101
(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine
CID 140598914
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine;ethane
CID 144913842
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)-1,2,3,6-tetrahydropyridine
CID 145587805

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine (CID 104668727) is 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine is CCSCCNCCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine?
The InChIKey is PDWMHJNURJQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-13-10-9-12-8-7-11-5-3-4-6-11/h5,12H,2-4,6-10H2,1H3.
What are the key properties of 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine?
2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine has a molecular weight of 199.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine is sourced from PubChem (CID 104668727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).