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

C10H14N2S — CID 115130337

IUPAC2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
SMILESCc1ccsc1CN(C)C(C)C#N
InChIInChI=1S/C10H14N2S/c1-8-4-5-13-10(8)7-12(3)9(2)6-11/h4-5,9H,7H2,1-3H3
InChIKeyDLYVZUHZYHLQIY-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.40
Rot. Bonds3

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

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile (PubChem CID 115130337) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
PubChem CID115130337
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
SMILESCc1ccsc1CN(C)C(C)C#N
InChIInChI=1S/C10H14N2S/c1-8-4-5-13-10(8)7-12(3)9(2)6-11/h4-5,9H,7H2,1-3H3
InChIKeyDLYVZUHZYHLQIY-UHFFFAOYSA-N
XLogP2.40
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
CID 115130607
2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]butanenitrile
CID 115253986
2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115129522
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
3-methyl-2-[[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254717
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
2-[(5-bromo-2-methylphenyl)methyl-methylamino]propanenitrile
CID 115130320
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472
2-(3-methylthiophen-2-yl)propanenitrile
CID 63992078
(1S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9046854
(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 40952704

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
The IUPAC name of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile (CID 115130337) is 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
The canonical SMILES for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile is Cc1ccsc1CN(C)C(C)C#N.
What is the InChIKey of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
The InChIKey is DLYVZUHZYHLQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8-4-5-13-10(8)7-12(3)9(2)6-11/h4-5,9H,7H2,1-3H3.
What are the key properties of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile?
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile has a molecular weight of 194.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 115130337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).