2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile

C12H16N2S — CID 65480348

IUPAC2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCc2cccs2)CC1
InChIInChI=1S/C12H16N2S/c13-7-6-12(4-5-12)10-14-8-3-11-2-1-9-15-11/h1-2,9,14H,3-6,8,10H2
InChIKeyATQZZTKSBJPJDB-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.57
Rot. Bonds6

About 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65480348) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65480348
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCc2cccs2)CC1
InChIInChI=1S/C12H16N2S/c13-7-6-12(4-5-12)10-14-8-3-11-2-1-9-15-11/h1-2,9,14H,3-6,8,10H2
InChIKeyATQZZTKSBJPJDB-UHFFFAOYSA-N
XLogP2.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.57
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

2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
CID 65494698
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 80722611
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494867
2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65495404
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile (CID 65480348) is 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNCCc2cccs2)CC1.
What is the InChIKey of 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is ATQZZTKSBJPJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c13-7-6-12(4-5-12)10-14-8-3-11-2-1-9-15-11/h1-2,9,14H,3-6,8,10H2.
What are the key properties of 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).