2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile

C12H21N3 — CID 65494259

IUPAC2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCN(C)C1CCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C12H21N3/c1-14(2)11-3-8-15(9-11)10-12(4-5-12)6-7-13/h11H,3-6,8-10H2,1-2H3
InChIKeyFVGLGFSXWPLKPS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 65494259) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID65494259
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCN(C)C1CCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C12H21N3/c1-14(2)11-3-8-15(9-11)10-12(4-5-12)6-7-13/h11H,3-6,8-10H2,1-2H3
InChIKeyFVGLGFSXWPLKPS-UHFFFAOYSA-N
XLogP1.32
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile (CID 65494259) is 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile is CN(C)C1CCN(CC2(CC#N)CC2)C1.
What is the InChIKey of 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is FVGLGFSXWPLKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-14(2)11-3-8-15(9-11)10-12(4-5-12)6-7-13/h11H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65494259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).