2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine

C12H18N2S — CID 106170276

IUPAC2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCC1=CCCC1
InChIInChI=1S/C12H18N2S/c13-11-6-8-15-12(11)9-14-7-5-10-3-1-2-4-10/h3,6,8,14H,1-2,4-5,7,9,13H2
InChIKeyHENMIEQOINODOR-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.92
Rot. Bonds5

About 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine

2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine (PubChem CID 106170276) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine
PubChem CID106170276
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCC1=CCCC1
InChIInChI=1S/C12H18N2S/c13-11-6-8-15-12(11)9-14-7-5-10-3-1-2-4-10/h3,6,8,14H,1-2,4-5,7,9,13H2
InChIKeyHENMIEQOINODOR-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331
N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 115762886
2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 106169126
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
N-[(2-bromo-3-fluorophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 114153936
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 115762936

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine (CID 106170276) is 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCCC1=CCCC1.
What is the InChIKey of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine?
The InChIKey is HENMIEQOINODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-11-6-8-15-12(11)9-14-7-5-10-3-1-2-4-10/h3,6,8,14H,1-2,4-5,7,9,13H2.
What are the key properties of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine?
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine has a molecular weight of 222.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 106170276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).