1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile

C18H20N2O — CID 79644351

IUPAC1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cccc3ccccc23)C1
InChIInChI=1S/C18H20N2O/c1-2-20-18(13-19)11-10-15(12-18)21-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,20H,2,10-12H2,1H3
InChIKeyWYGILTLUIVSKMA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.64
Rot. Bonds4

About 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile

1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile (PubChem CID 79644351) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
PubChem CID79644351
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cccc3ccccc23)C1
InChIInChI=1S/C18H20N2O/c1-2-20-18(13-19)11-10-15(12-18)21-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,20H,2,10-12H2,1H3
InChIKeyWYGILTLUIVSKMA-UHFFFAOYSA-N
XLogP3.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
CID 79638685
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79650285
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79649725
1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644347
1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
CID 107314628
1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644348
1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
CID 79639805
1-(ethylamino)-3-(4-nitrophenoxy)cyclohexane-1-carbonitrile
CID 79628804
3-(3-bromo-5-nitrophenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 103589345
1-(ethylamino)-3-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
CID 79644882
3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79650115
3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile
CID 107713933

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile (CID 79644351) is 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Oc2cccc3ccccc23)C1.
What is the InChIKey of 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile?
The InChIKey is WYGILTLUIVSKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20-18(13-19)11-10-15(12-18)21-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,20H,2,10-12H2,1H3.
What are the key properties of 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile?
1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile is sourced from PubChem (CID 79644351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).