1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine

C12H26N2O — CID 79842066

IUPAC1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine
SMILESCCOCCN(CC)CCC1(N)CCC1
InChIInChI=1S/C12H26N2O/c1-3-14(10-11-15-4-2)9-8-12(13)6-5-7-12/h3-11,13H2,1-2H3
InChIKeyJHICWLAEYWRONQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.62
Rot. Bonds8

About 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine

1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79842066) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79842066
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine
SMILESCCOCCN(CC)CCC1(N)CCC1
InChIInChI=1S/C12H26N2O/c1-3-14(10-11-15-4-2)9-8-12(13)6-5-7-12/h3-11,13H2,1-2H3
InChIKeyJHICWLAEYWRONQ-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine (CID 79842066) is 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine is CCOCCN(CC)CCC1(N)CCC1.
What is the InChIKey of 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is JHICWLAEYWRONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-14(10-11-15-4-2)9-8-12(13)6-5-7-12/h3-11,13H2,1-2H3.
What are the key properties of 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).