1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile

C15H28N2O2 — CID 106448783

IUPAC1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OCCOCC(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-4-17-15(12-16)7-5-6-14(10-15)19-9-8-18-11-13(2)3/h13-14,17H,4-11H2,1-3H3
InChIKeyQYGSUWGJQYPNTK-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.49
Rot. Bonds8

About 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile

1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile (PubChem CID 106448783) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
PubChem CID106448783
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OCCOCC(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-4-17-15(12-16)7-5-6-14(10-15)19-9-8-18-11-13(2)3/h13-14,17H,4-11H2,1-3H3
InChIKeyQYGSUWGJQYPNTK-UHFFFAOYSA-N
XLogP2.49
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.49
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

1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625305
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-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79637001
1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636546
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 103489745
3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639894
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile (CID 106448783) is 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(OCCOCC(C)C)C1.
What is the InChIKey of 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile?
The InChIKey is QYGSUWGJQYPNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-17-15(12-16)7-5-6-14(10-15)19-9-8-18-11-13(2)3/h13-14,17H,4-11H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile?
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile is sourced from PubChem (CID 106448783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).