trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine

C8H17NO2 — CID 170976556

IUPACtrans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine
SMILESCN[C@H]1CC[C@@H]1OCCOC
InChIInChI=1S/C8H17NO2/c1-9-7-3-4-8(7)11-6-5-10-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyQXORCKIEMJQWDT-YUMQZZPRSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds5

About trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine

trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine (PubChem CID 170976556) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine
PubChem CID170976556
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametrans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine
SMILESCN[C@H]1CC[C@@H]1OCCOC
InChIInChI=1S/C8H17NO2/c1-9-7-3-4-8(7)11-6-5-10-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyQXORCKIEMJQWDT-YUMQZZPRSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
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 trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine (CID 170976556) is trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine is CN[C@H]1CC[C@@H]1OCCOC.
What is the InChIKey of trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine?
The InChIKey is QXORCKIEMJQWDT-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-7-3-4-8(7)11-6-5-10-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine?
trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 170976556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).