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

C15H28N2O3 — CID 103179797

IUPAC1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OCCOCCCOC)C1
InChIInChI=1S/C15H28N2O3/c1-3-17-15(13-16)7-4-6-14(12-15)20-11-10-19-9-5-8-18-2/h14,17H,3-12H2,1-2H3
InChIKeyPGVONVLFAVSRBQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds10

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

1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile (PubChem CID 103179797) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
PubChem CID103179797
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(OCCOCCCOC)C1
InChIInChI=1S/C15H28N2O3/c1-3-17-15(13-16)7-4-6-14(12-15)20-11-10-19-9-5-8-18-2/h14,17H,3-12H2,1-2H3
InChIKeyPGVONVLFAVSRBQ-UHFFFAOYSA-N
XLogP1.87
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
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-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
CID 79625448
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625305
3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639894
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113
3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79637001

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile (CID 103179797) is 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(OCCOCCCOC)C1.
What is the InChIKey of 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile?
The InChIKey is PGVONVLFAVSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-17-15(13-16)7-4-6-14(12-15)20-11-10-19-9-5-8-18-2/h14,17H,3-12H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile?
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile has a molecular weight of 284.40 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile is sourced from PubChem (CID 103179797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).