2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile

C13H23N3 — CID 65493823

IUPAC2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN1CCC(N(C)CC2(CC#N)CC2)CC1
InChIInChI=1S/C13H23N3/c1-15-9-3-12(4-10-15)16(2)11-13(5-6-13)7-8-14/h12H,3-7,9-11H2,1-2H3
InChIKeyJSQXJMXSRHFLDC-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65493823) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65493823
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN1CCC(N(C)CC2(CC#N)CC2)CC1
InChIInChI=1S/C13H23N3/c1-15-9-3-12(4-10-15)16(2)11-13(5-6-13)7-8-14/h12H,3-7,9-11H2,1-2H3
InChIKeyJSQXJMXSRHFLDC-UHFFFAOYSA-N
XLogP1.71
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 115453628
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 65010272
2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65495407
N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 28598778
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65492583
2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 79716528
1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245215
4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-4-ol
CID 55048858
N-[(2-amino-1-methylcyclopentyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82767748
2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile
CID 115319150
2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
CID 129269333

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile (CID 65493823) is 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile is CN1CCC(N(C)CC2(CC#N)CC2)CC1.
What is the InChIKey of 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is JSQXJMXSRHFLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-15-9-3-12(4-10-15)16(2)11-13(5-6-13)7-8-14/h12H,3-7,9-11H2,1-2H3.
What are the key properties of 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65493823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).