5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile

C13H16N2S — CID 115762936

IUPAC5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCCC2=CCCC2)c1
InChIInChI=1S/C13H16N2S/c14-8-12-7-13(16-10-12)9-15-6-5-11-3-1-2-4-11/h3,7,10,15H,1-2,4-6,9H2
InChIKeyYRNBXDYOHKNCDP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.21
Rot. Bonds5

About 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile

5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile (PubChem CID 115762936) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile
PubChem CID115762936
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCCC2=CCCC2)c1
InChIInChI=1S/C13H16N2S/c14-8-12-7-13(16-10-12)9-15-6-5-11-3-1-2-4-11/h3,7,10,15H,1-2,4-6,9H2
InChIKeyYRNBXDYOHKNCDP-UHFFFAOYSA-N
XLogP3.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
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

Tifacogin
CID 961320
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
(S)-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonitrile
CID 44447176
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carbonitrile
CID 44447169
N,N-Dimethyl-N'-[(3-methyl-2-thienyl)methyl]-1,2-ethanediamine
CID 4720499
5-Aminomethyl-thiophene-3-carbonitrile hydrochloride
CID 21866464
4-(Aminomethyl)thiophene-2-carbonitrile--hydrogen chloride (1/1)
CID 21866493
(R)-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonitrile
CID 44447174
N'-(thiophen-2-ylmethyl)dodecane-1,12-diamine
CID 76313526
2-[(Thiophen-2-ylmethylamino)methyl]benzonitrile
CID 1439866
2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile
CID 2804454

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile (CID 115762936) is 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile is N#Cc1csc(CNCCC2=CCCC2)c1.
What is the InChIKey of 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is YRNBXDYOHKNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c14-8-12-7-13(16-10-12)9-15-6-5-11-3-1-2-4-11/h3,7,10,15H,1-2,4-6,9H2.
What are the key properties of 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile?
5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 232.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 115762936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).