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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Related Compounds

2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66291202
2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495067
2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65496978
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65498094
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495085
N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine
CID 55159336
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopropyl]acetonitrile
CID 115559887
2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
CID 129269333
1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
CID 115449099
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 107160820
2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile
CID 65493823

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).