2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile

C11H20N2O2 — CID 65496681

IUPAC2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESCOCCOCCNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2O2/c1-14-8-9-15-7-6-13-10-11(2-3-11)4-5-12/h13H,2-4,6-10H2,1H3
InChIKeyKBZXLOASFONZGO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.93
Rot. Bonds9

About 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65496681) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65496681
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESCOCCOCCNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2O2/c1-14-8-9-15-7-6-13-10-11(2-3-11)4-5-12/h13H,2-4,6-10H2,1H3
InChIKeyKBZXLOASFONZGO-UHFFFAOYSA-N
XLogP0.93
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile
CID 113426894
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile
CID 65480947
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylamino]propanoate
CID 65480365
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 114116392
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
CID 113411333
2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile (CID 65496681) is 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile is COCCOCCNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is KBZXLOASFONZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-14-8-9-15-7-6-13-10-11(2-3-11)4-5-12/h13H,2-4,6-10H2,1H3.
What are the key properties of 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 212.29 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).