1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile

C13H24N2O — CID 79639805

IUPAC1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(OC(C)(C)CC)C1
InChIInChI=1S/C13H24N2O/c1-5-12(3,4)16-11-7-8-13(9-11,10-14)15-6-2/h11,15H,5-9H2,1-4H3
InChIKeyYJCZSOCNKOTNDX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.62
Rot. Bonds5

About 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile

1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile (PubChem CID 79639805) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
PubChem CID79639805
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(OC(C)(C)CC)C1
InChIInChI=1S/C13H24N2O/c1-5-12(3,4)16-11-7-8-13(9-11,10-14)15-6-2/h11,15H,5-9H2,1-4H3
InChIKeyYJCZSOCNKOTNDX-UHFFFAOYSA-N
XLogP2.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79649725
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380
1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
CID 79638685
1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
CID 79644351
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79650285
1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
CID 79639106
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644348
1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644347
1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976
1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
CID 79625232

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile (CID 79639805) is 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(OC(C)(C)CC)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile?
The InChIKey is YJCZSOCNKOTNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-12(3,4)16-11-7-8-13(9-11,10-14)15-6-2/h11,15H,5-9H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile?
1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile has a molecular weight of 224.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).