N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine

C16H33NO3 — CID 103406608

IUPACN-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOC1(CCNC(C)(C)C)CCC1
InChIInChI=1S/C16H33NO3/c1-15(2,3)17-10-9-16(7-5-8-16)20-12-6-11-19-14-13-18-4/h17H,5-14H2,1-4H3
InChIKeyHZANYIGVMSIHMB-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.76
Rot. Bonds11

About N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine

N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine (PubChem CID 103406608) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
PubChem CID103406608
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC NameN-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOC1(CCNC(C)(C)C)CCC1
InChIInChI=1S/C16H33NO3/c1-15(2,3)17-10-9-16(7-5-8-16)20-12-6-11-19-14-13-18-4/h17H,5-14H2,1-4H3
InChIKeyHZANYIGVMSIHMB-UHFFFAOYSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.76
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

N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564
2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
CID 103273327
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[2-(1-ethoxycyclobutyl)ethyl]-2-methylpropan-2-amine
CID 103273053
2-methyl-N-[2-[1-(2-pyrrolidin-1-ylethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273661
N-[2-[1-[2-[di(propan-2-yl)amino]ethoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274335
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine (CID 103406608) is N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine is COCCOCCCOC1(CCNC(C)(C)C)CCC1.
What is the InChIKey of N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is HZANYIGVMSIHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-15(2,3)17-10-9-16(7-5-8-16)20-12-6-11-19-14-13-18-4/h17H,5-14H2,1-4H3.
What are the key properties of N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine?
N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 287.44 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103406608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).