2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile

C8H15N3 — CID 116955072

IUPAC2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile
SMILESCNC(C#N)C1CCN(C)C1
InChIInChI=1S/C8H15N3/c1-10-8(5-9)7-3-4-11(2)6-7/h7-8,10H,3-4,6H2,1-2H3
InChIKeyYIDWGQAIPWUZFT-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.05
Rot. Bonds2

About 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile

2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile (PubChem CID 116955072) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile
PubChem CID116955072
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile
SMILESCNC(C#N)C1CCN(C)C1
InChIInChI=1S/C8H15N3/c1-10-8(5-9)7-3-4-11(2)6-7/h7-8,10H,3-4,6H2,1-2H3
InChIKeyYIDWGQAIPWUZFT-UHFFFAOYSA-N
XLogP0.05
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(methylamino)acetonitrile
CID 61309780
methylamino-(1-methylpiperidin-4-yl)methanethiol
CID 116954601
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
3-methyl-2-[methylamino-(1-methylpiperidin-3-yl)methyl]butanenitrile
CID 116960745
1-(azetidin-3-yl)-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116950852
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
CID 62648155
N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 116949101
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63029104
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol
CID 116959958

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile?
The IUPAC name of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile (CID 116955072) is 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile is CNC(C#N)C1CCN(C)C1.
What is the InChIKey of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile?
The InChIKey is YIDWGQAIPWUZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-8(5-9)7-3-4-11(2)6-7/h7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile?
2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile is sourced from PubChem (CID 116955072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).