1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile

C11H14N2S — CID 115242334

IUPAC1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(Cc1cccs1)CC1(C#N)CC1
InChIInChI=1S/C11H14N2S/c1-13(7-10-3-2-6-14-10)9-11(8-12)4-5-11/h2-3,6H,4-5,7,9H2,1H3
InChIKeyXHKPWEVMTXDHDB-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.48
Rot. Bonds4

About 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile

1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242334) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242334
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(Cc1cccs1)CC1(C#N)CC1
InChIInChI=1S/C11H14N2S/c1-13(7-10-3-2-6-14-10)9-11(8-12)4-5-11/h2-3,6H,4-5,7,9H2,1H3
InChIKeyXHKPWEVMTXDHDB-UHFFFAOYSA-N
XLogP2.48
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62277733
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 83073731
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494867
1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242386
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242191
1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245332
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
1-[[(2,5-difluorophenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245356

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242334) is 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile is CN(Cc1cccs1)CC1(C#N)CC1.
What is the InChIKey of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is XHKPWEVMTXDHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13(7-10-3-2-6-14-10)9-11(8-12)4-5-11/h2-3,6H,4-5,7,9H2,1H3.
What are the key properties of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).