1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile

C17H24N2O — CID 79576891

IUPAC1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)c1ccc(OCCC2CCCC2(N)C#N)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,19)12-18/h5-8,13,15H,3-4,9-11,19H2,1-2H3
InChIKeySOOFQCNQPPFXIS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.60
Rot. Bonds5

About 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576891) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79576891
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)c1ccc(OCCC2CCCC2(N)C#N)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,19)12-18/h5-8,13,15H,3-4,9-11,19H2,1-2H3
InChIKeySOOFQCNQPPFXIS-UHFFFAOYSA-N
XLogP3.60
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile (CID 79576891) is 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile is CC(C)c1ccc(OCCC2CCCC2(N)C#N)cc1.
What is the InChIKey of 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is SOOFQCNQPPFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,19)12-18/h5-8,13,15H,3-4,9-11,19H2,1-2H3.
What are the key properties of 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).