1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile

C18H26N2O — CID 79644350

IUPAC1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile
SMILESCCC(C)(C)c1ccc(OC2CCC(C#N)(NC)C2)cc1
InChIInChI=1S/C18H26N2O/c1-5-17(2,3)14-6-8-15(9-7-14)21-16-10-11-18(12-16,13-19)20-4/h6-9,16,20H,5,10-12H2,1-4H3
InChIKeyKQWRIYYGTRBLNT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.79
Rot. Bonds5

About 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile

1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile (PubChem CID 79644350) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile
PubChem CID79644350
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile
SMILESCCC(C)(C)c1ccc(OC2CCC(C#N)(NC)C2)cc1
InChIInChI=1S/C18H26N2O/c1-5-17(2,3)14-6-8-15(9-7-14)21-16-10-11-18(12-16,13-19)20-4/h6-9,16,20H,5,10-12H2,1-4H3
InChIKeyKQWRIYYGTRBLNT-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile (CID 79644350) is 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile is CCC(C)(C)c1ccc(OC2CCC(C#N)(NC)C2)cc1.
What is the InChIKey of 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile?
The InChIKey is KQWRIYYGTRBLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-17(2,3)14-6-8-15(9-7-14)21-16-10-11-18(12-16,13-19)20-4/h6-9,16,20H,5,10-12H2,1-4H3.
What are the key properties of 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile?
1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[4-(2-methylbutan-2-yl)phenoxy]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79644350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).