2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile

C11H16N2S — CID 115129522

IUPAC2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
SMILESCc1ccsc1CN(C)C(C)(C)C#N
InChIInChI=1S/C11H16N2S/c1-9-5-6-14-10(9)7-13(4)11(2,3)8-12/h5-6H,7H2,1-4H3
InChIKeyCZEYJNHNGCXEJL-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.79
Rot. Bonds3

About 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile

2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile (PubChem CID 115129522) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
PubChem CID115129522
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
SMILESCc1ccsc1CN(C)C(C)(C)C#N
InChIInChI=1S/C11H16N2S/c1-9-5-6-14-10(9)7-13(4)11(2,3)8-12/h5-6H,7H2,1-4H3
InChIKeyCZEYJNHNGCXEJL-UHFFFAOYSA-N
XLogP2.79
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(3-methylthiophen-2-yl)propanenitrile
CID 116927724
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115130337
2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]butanenitrile
CID 115253986
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
CID 115129501
3-methyl-2-[[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254717
2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
CID 115130607
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
4-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 117041305
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 78848600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile (CID 115129522) is 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile is Cc1ccsc1CN(C)C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
The InChIKey is CZEYJNHNGCXEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-5-6-14-10(9)7-13(4)11(2,3)8-12/h5-6H,7H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile has a molecular weight of 208.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 115129522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).