[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol

C8H19NO2 — CID 143862209

IUPAC[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol
SMILESCC.CO.NC[C@@H]1C=CCO1
InChIInChI=1S/C5H9NO.C2H6.CH4O/c6-4-5-2-1-3-7-5;2*1-2/h1-2,5H,3-4,6H2;1-2H3;2H,1H3/t5-;;/m0../s1
InChIKeyYZWSTNKMIKHNJS-XRIGFGBMSA-N
MW161.24 g/mol
LogP0.53
Rot. Bonds1

About [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol

[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol (PubChem CID 143862209) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol.

Molecular Properties

Compound Name[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol
PubChem CID143862209
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol
SMILESCC.CO.NC[C@@H]1C=CCO1
InChIInChI=1S/C5H9NO.C2H6.CH4O/c6-4-5-2-1-3-7-5;2*1-2/h1-2,5H,3-4,6H2;1-2H3;2H,1H3/t5-;;/m0../s1
InChIKeyYZWSTNKMIKHNJS-XRIGFGBMSA-N
XLogP0.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol?
The IUPAC name of [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol (CID 143862209) is [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol.
What is the SMILES notation for [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol?
The canonical SMILES for [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol is CC.CO.NC[C@@H]1C=CCO1.
What is the InChIKey of [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol?
The InChIKey is YZWSTNKMIKHNJS-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H9NO.C2H6.CH4O/c6-4-5-2-1-3-7-5;2*1-2/h1-2,5H,3-4,6H2;1-2H3;2H,1H3/t5-;;/m0../s1.
What are the key properties of [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol?
[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol has a molecular weight of 161.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol is sourced from PubChem (CID 143862209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).