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

C17H24N2O — CID 79576810

IUPAC1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)c(OCCC2CCCC2(N)C#N)c(C)c1
InChIInChI=1S/C17H24N2O/c1-12-9-13(2)16(14(3)10-12)20-8-6-15-5-4-7-17(15,19)11-18/h9-10,15H,4-8,19H2,1-3H3
InChIKeyHGSJJOACLBLDTN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.40
Rot. Bonds4

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

1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576810) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79576810
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)c(OCCC2CCCC2(N)C#N)c(C)c1
InChIInChI=1S/C17H24N2O/c1-12-9-13(2)16(14(3)10-12)20-8-6-15-5-4-7-17(15,19)11-18/h9-10,15H,4-8,19H2,1-3H3
InChIKeyHGSJJOACLBLDTN-UHFFFAOYSA-N
XLogP3.40
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.40
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-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile (CID 79576810) is 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile is Cc1cc(C)c(OCCC2CCCC2(N)C#N)c(C)c1.
What is the InChIKey of 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is HGSJJOACLBLDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-9-13(2)16(14(3)10-12)20-8-6-15-5-4-7-17(15,19)11-18/h9-10,15H,4-8,19H2,1-3H3.
What are the key properties of 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).