1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile

C18H26N2O — CID 79644347

IUPAC1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cc(C)ccc2C(C)C)C1
InChIInChI=1S/C18H26N2O/c1-5-20-18(12-19)9-8-15(11-18)21-17-10-14(4)6-7-16(17)13(2)3/h6-7,10,13,15,20H,5,8-9,11H2,1-4H3
InChIKeyDSGHRIFTAWEEQO-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds5

About 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile

1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile (PubChem CID 79644347) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
PubChem CID79644347
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cc(C)ccc2C(C)C)C1
InChIInChI=1S/C18H26N2O/c1-5-20-18(12-19)9-8-15(11-18)21-17-10-14(4)6-7-16(17)13(2)3/h6-7,10,13,15,20H,5,8-9,11H2,1-4H3
InChIKeyDSGHRIFTAWEEQO-UHFFFAOYSA-N
XLogP3.92
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644348
3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650689
1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
CID 79638685
1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
CID 79644351
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79650285
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
CID 107314628
1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
CID 79639805
3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79643944
3-(3-bromo-5-nitrophenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 103589345
1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 79644889
3-(3,4-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650437

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile (CID 79644347) is 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Oc2cc(C)ccc2C(C)C)C1.
What is the InChIKey of 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
The InChIKey is DSGHRIFTAWEEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-20-18(12-19)9-8-15(11-18)21-17-10-14(4)6-7-16(17)13(2)3/h6-7,10,13,15,20H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79644347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).