1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile

C13H24N2O3 — CID 113427255

IUPAC1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
SMILESCOCCOCCOCCC1CCCC1(N)C#N
InChIInChI=1S/C13H24N2O3/c1-16-7-8-18-10-9-17-6-4-12-3-2-5-13(12,15)11-14/h12H,2-10,15H2,1H3
InChIKeyKARCZSBIWBWRQL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.08
Rot. Bonds9

About 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile (PubChem CID 113427255) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
PubChem CID113427255
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
SMILESCOCCOCCOCCC1CCCC1(N)C#N
InChIInChI=1S/C13H24N2O3/c1-16-7-8-18-10-9-17-6-4-12-3-2-5-13(12,15)11-14/h12H,2-10,15H2,1H3
InChIKeyKARCZSBIWBWRQL-UHFFFAOYSA-N
XLogP1.08
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile (CID 113427255) is 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile is COCCOCCOCCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is KARCZSBIWBWRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-16-7-8-18-10-9-17-6-4-12-3-2-5-13(12,15)11-14/h12H,2-10,15H2,1H3.
What are the key properties of 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 113427255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).