4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile

C15H28N2O4 — CID 104563060

IUPAC4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile
SMILESCCCCOCCOCCOCCN1CCOC(C#N)C1
InChIInChI=1S/C15H28N2O4/c1-2-3-6-18-9-11-20-12-10-19-7-4-17-5-8-21-15(13-16)14-17/h15H,2-12,14H2,1H3
InChIKeyILYSGYUUFRSOHS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.06
Rot. Bonds12

About 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile

4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile (PubChem CID 104563060) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile
PubChem CID104563060
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile
SMILESCCCCOCCOCCOCCN1CCOC(C#N)C1
InChIInChI=1S/C15H28N2O4/c1-2-3-6-18-9-11-20-12-10-19-7-4-17-5-8-21-15(13-16)14-17/h15H,2-12,14H2,1H3
InChIKeyILYSGYUUFRSOHS-UHFFFAOYSA-N
XLogP1.06
TPSA63.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethoxy)ethyl]morpholine-2-carbonitrile
CID 79675052
4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
4-(2-ethylhexyl)morpholine-2-carbonitrile
CID 79674455
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
4-butyl-2-(propoxymethyl)morpholine;ethane
CID 169214166
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
N-(2-butoxyethyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62575904
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile (CID 104563060) is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile is CCCCOCCOCCOCCN1CCOC(C#N)C1.
What is the InChIKey of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile?
The InChIKey is ILYSGYUUFRSOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-3-6-18-9-11-20-12-10-19-7-4-17-5-8-21-15(13-16)14-17/h15H,2-12,14H2,1H3.
What are the key properties of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile?
4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile has a molecular weight of 300.40 g/mol, XLogP of 1.06, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile is sourced from PubChem (CID 104563060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).