1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile

C15H26N2O3 — CID 104564891

IUPAC1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
SMILESCOCCOCCOC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-18-7-8-19-9-10-20-14-3-2-6-15(11-14,12-16)17-13-4-5-13/h13-14,17H,2-11H2,1H3
InChIKeyZWCFTGGXLKQWFD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds9

About 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile (PubChem CID 104564891) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
PubChem CID104564891
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
SMILESCOCCOCCOC1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-18-7-8-19-9-10-20-14-3-2-6-15(11-14,12-16)17-13-4-5-13/h13-14,17H,2-11H2,1H3
InChIKeyZWCFTGGXLKQWFD-UHFFFAOYSA-N
XLogP1.62
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
CID 79625448
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
CID 82956736
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625305
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
CID 79649738
1-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 79636237
1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
CID 79625232
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexane-1-carbonitrile
CID 79636998

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile (CID 104564891) is 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile is COCCOCCOC1CCCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile?
The InChIKey is ZWCFTGGXLKQWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-18-7-8-19-9-10-20-14-3-2-6-15(11-14,12-16)17-13-4-5-13/h13-14,17H,2-11H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile has a molecular weight of 282.38 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile is sourced from PubChem (CID 104564891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).