5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile

C13H20N2S — CID 60697402

IUPAC5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
SMILESCC(C)C(NCCCCC#N)c1cccs1
InChIInChI=1S/C13H20N2S/c1-11(2)13(12-7-6-10-16-12)15-9-5-3-4-8-14/h6-7,10-11,13,15H,3-5,9H2,1-2H3
InChIKeyULNUMXGXLPKMAN-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.73
Rot. Bonds7

About 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile

5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile (PubChem CID 60697402) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
PubChem CID60697402
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
SMILESCC(C)C(NCCCCC#N)c1cccs1
InChIInChI=1S/C13H20N2S/c1-11(2)13(12-7-6-10-16-12)15-9-5-3-4-8-14/h6-7,10-11,13,15H,3-5,9H2,1-2H3
InChIKeyULNUMXGXLPKMAN-UHFFFAOYSA-N
XLogP3.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.73
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

4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 60697385
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 113412535
2-[4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenoxy]acetonitrile
CID 93027675
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115651694
2-[4-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenoxy]acetonitrile
CID 43767915
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile?
The IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile (CID 60697402) is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile.
What is the SMILES notation for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile?
The canonical SMILES for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile is CC(C)C(NCCCCC#N)c1cccs1.
What is the InChIKey of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile?
The InChIKey is ULNUMXGXLPKMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-11(2)13(12-7-6-10-16-12)15-9-5-3-4-8-14/h6-7,10-11,13,15H,3-5,9H2,1-2H3.
What are the key properties of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile?
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile has a molecular weight of 236.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile is sourced from PubChem (CID 60697402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).