3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile

C15H28N2O2 — CID 79639894

IUPAC3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCCOCCOC1CCC(C#N)(NCCC)C1
InChIInChI=1S/C15H28N2O2/c1-3-5-9-18-10-11-19-14-6-7-15(12-14,13-16)17-8-4-2/h14,17H,3-12H2,1-2H3
InChIKeyCRVYQDCQVVTBFU-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds10

About 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile

3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79639894) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79639894
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCCOCCOC1CCC(C#N)(NCCC)C1
InChIInChI=1S/C15H28N2O2/c1-3-5-9-18-10-11-19-14-6-7-15(12-14,13-16)17-8-4-2/h14,17H,3-12H2,1-2H3
InChIKeyCRVYQDCQVVTBFU-UHFFFAOYSA-N
XLogP2.63
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
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-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
CID 79639106
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
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
3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79637001
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile (CID 79639894) is 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile is CCCCOCCOC1CCC(C#N)(NCCC)C1.
What is the InChIKey of 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is CRVYQDCQVVTBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-5-9-18-10-11-19-14-6-7-15(12-14,13-16)17-8-4-2/h14,17H,3-12H2,1-2H3.
What are the key properties of 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile?
3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).