2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile

C9H12N2S — CID 60670408

IUPAC2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
SMILESCC(C#N)N(C)Cc1ccsc1
InChIInChI=1S/C9H12N2S/c1-8(5-10)11(2)6-9-3-4-12-7-9/h3-4,7-8H,6H2,1-2H3
InChIKeyMSPWKGPVVCVEOG-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.09
Rot. Bonds3

About 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile

2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile (PubChem CID 60670408) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
PubChem CID60670408
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
SMILESCC(C#N)N(C)Cc1ccsc1
InChIInChI=1S/C9H12N2S/c1-8(5-10)11(2)6-9-3-4-12-7-9/h3-4,7-8H,6H2,1-2H3
InChIKeyMSPWKGPVVCVEOG-UHFFFAOYSA-N
XLogP2.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115130337
1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 55018087
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528085
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
4-N-methyl-1-N-propan-2-yl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421578
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
CID 62949476

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile (CID 60670408) is 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile is CC(C#N)N(C)Cc1ccsc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile?
The InChIKey is MSPWKGPVVCVEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-8(5-10)11(2)6-9-3-4-12-7-9/h3-4,7-8H,6H2,1-2H3.
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile?
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile has a molecular weight of 180.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 60670408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).