5-[(pentylamino)methyl]thiophene-2-carbonitrile

C11H16N2S — CID 115675351

IUPAC5-[(pentylamino)methyl]thiophene-2-carbonitrile
SMILESCCCCCNCc1ccc(C#N)s1
InChIInChI=1S/C11H16N2S/c1-2-3-4-7-13-9-11-6-5-10(8-12)14-11/h5-6,13H,2-4,7,9H2,1H3
InChIKeyZTNNHAXBKOGPJS-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.90
Rot. Bonds6

About 5-[(pentylamino)methyl]thiophene-2-carbonitrile

5-[(pentylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675351) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-[(pentylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(pentylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675351
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-[(pentylamino)methyl]thiophene-2-carbonitrile
SMILESCCCCCNCc1ccc(C#N)s1
InChIInChI=1S/C11H16N2S/c1-2-3-4-7-13-9-11-6-5-10(8-12)14-11/h5-6,13H,2-4,7,9H2,1H3
InChIKeyZTNNHAXBKOGPJS-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-butoxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675311
5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile
CID 115675598
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile
CID 115675853
5-[[[(E)-pent-3-enyl]amino]methyl]thiophene-2-carbonitrile
CID 115675888
5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile
CID 115675326
3-[(5-cyanothiophen-2-yl)methylamino]propanamide
CID 115919596
5-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 103729197
5-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]thiophene-2-carbonitrile
CID 113250087
N-[(5-methoxythiophen-2-yl)methyl]hexan-1-amine
CID 115702222
[5-[(pentylamino)methyl]thiophen-2-yl]boronic acid
CID 66722868

Frequently Asked Questions

What is the IUPAC name of 5-[(pentylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(pentylamino)methyl]thiophene-2-carbonitrile (CID 115675351) is 5-[(pentylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(pentylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(pentylamino)methyl]thiophene-2-carbonitrile is CCCCCNCc1ccc(C#N)s1.
What is the InChIKey of 5-[(pentylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is ZTNNHAXBKOGPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-3-4-7-13-9-11-6-5-10(8-12)14-11/h5-6,13H,2-4,7,9H2,1H3.
What are the key properties of 5-[(pentylamino)methyl]thiophene-2-carbonitrile?
5-[(pentylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 208.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pentylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).