3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C12H22N2O2 — CID 79638882

IUPAC3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCOCCOC1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)14-12(9-13)5-4-11(8-12)16-7-6-15-3/h10-11,14H,4-8H2,1-3H3
InChIKeyQQEDQTHQEWHXJG-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.46
Rot. Bonds6

About 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79638882) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79638882
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCOCCOC1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)14-12(9-13)5-4-11(8-12)16-7-6-15-3/h10-11,14H,4-8H2,1-3H3
InChIKeyQQEDQTHQEWHXJG-UHFFFAOYSA-N
XLogP1.46
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.46
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-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 112588934
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carbonitrile
CID 82789002
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625305
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
3-(3-phenylpropoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79644602
3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79637079
3-[cyclopropyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638842
1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
CID 79625448

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79638882) is 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is COCCOC1CCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is QQEDQTHQEWHXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)14-12(9-13)5-4-11(8-12)16-7-6-15-3/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).