3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

C14H26N2O2 — CID 79625305

IUPAC3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCCOCCOC1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-17-8-9-18-13-6-5-7-14(10-13,11-15)16-12(2)3/h12-13,16H,4-10H2,1-3H3
InChIKeyCHBYRCPPJOGJTJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds7

About 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (PubChem CID 79625305) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
PubChem CID79625305
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCCOCCOC1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-17-8-9-18-13-6-5-7-14(10-13,11-15)16-12(2)3/h12-13,16H,4-10H2,1-3H3
InChIKeyCHBYRCPPJOGJTJ-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
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

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-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 103489745
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 112588934
3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 81061358
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79637079
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (CID 79625305) is 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is CCOCCOC1CCCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The InChIKey is CHBYRCPPJOGJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-17-8-9-18-13-6-5-7-14(10-13,11-15)16-12(2)3/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile has a molecular weight of 254.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).