1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile

C18H26N2O — CID 79576909

IUPAC1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C18H26N2O/c1-13-10-14(2)17(15(3)11-13)21-9-7-16-6-5-8-18(16,12-19)20-4/h10-11,16,20H,5-9H2,1-4H3
InChIKeyJWUCZNYJYLQWAS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.66
Rot. Bonds5

About 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile

1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576909) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79576909
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C18H26N2O/c1-13-10-14(2)17(15(3)11-13)21-9-7-16-6-5-8-18(16,12-19)20-4/h10-11,16,20H,5-9H2,1-4H3
InChIKeyJWUCZNYJYLQWAS-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile (CID 79576909) is 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCOc1c(C)cc(C)cc1C.
What is the InChIKey of 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is JWUCZNYJYLQWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-10-14(2)17(15(3)11-13)21-9-7-16-6-5-8-18(16,12-19)20-4/h10-11,16,20H,5-9H2,1-4H3.
What are the key properties of 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).