1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine

C13H28N2O2 — CID 79841843

IUPAC1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine
SMILESCOCCCN(CCOC)CCC1(N)CCC1
InChIInChI=1S/C13H28N2O2/c1-16-11-4-8-15(10-12-17-2)9-7-13(14)5-3-6-13/h3-12,14H2,1-2H3
InChIKeyDGYBARYQFISUCA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds10

About 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine

1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79841843) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79841843
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine
SMILESCOCCCN(CCOC)CCC1(N)CCC1
InChIInChI=1S/C13H28N2O2/c1-16-11-4-8-15(10-12-17-2)9-7-13(14)5-3-6-13/h3-12,14H2,1-2H3
InChIKeyDGYBARYQFISUCA-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N1,N1-bis(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64679532
1-N,1-N-bis(2-methoxyethyl)-4-methylpentane-1,4-diamine
CID 64007528
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-4-methylpentane-1,4-diamine
CID 64007946
1-[2-[Bis(2-methoxyethyl)amino]ethyl]cyclopentan-1-amine
CID 64677299
1-[2-[2-Methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentan-1-amine
CID 64681195
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-3-methylbutane-1,3-diamine
CID 64681196
1-[2-[2-Methoxyethyl(3-methoxypropyl)amino]ethyl]cyclohexan-1-amine
CID 64681197
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
2-ethyl-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)butane-1,2-diamine
CID 79815147
1-[2-[2-Ethoxyethyl(ethyl)amino]ethyl]cyclobutan-1-amine
CID 79842066
1-[2-[Butan-2-yl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine
CID 79842516
1-[2-[Ethyl(2-methoxyethyl)amino]ethyl]cyclobutan-1-amine
CID 79842724

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine (CID 79841843) is 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine is COCCCN(CCOC)CCC1(N)CCC1.
What is the InChIKey of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is DGYBARYQFISUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-16-11-4-8-15(10-12-17-2)9-7-13(14)5-3-6-13/h3-12,14H2,1-2H3.
What are the key properties of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79841843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).