ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine

C10H18N2O2 — CID 142935918

IUPACethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
SMILESC/C(CN)=N\OCc1ccoc1.CC
InChIInChI=1S/C8H12N2O2.C2H6/c1-7(4-9)10-12-6-8-2-3-11-5-8;1-2/h2-3,5H,4,6,9H2,1H3;1-2H3/b10-7+;
InChIKeyIPXLIYPUUFSWDO-HCUGZAAXSA-N
MW198.27 g/mol
LogP2.16
Rot. Bonds4

About ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine

ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine (PubChem CID 142935918) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine.

Molecular Properties

Compound Nameethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
PubChem CID142935918
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
SMILESC/C(CN)=N\OCc1ccoc1.CC
InChIInChI=1S/C8H12N2O2.C2H6/c1-7(4-9)10-12-6-8-2-3-11-5-8;1-2/h2-3,5H,4,6,9H2,1H3;1-2H3/b10-7+;
InChIKeyIPXLIYPUUFSWDO-HCUGZAAXSA-N
XLogP2.16
TPSA60.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
The IUPAC name of ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine (CID 142935918) is ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine.
What is the SMILES notation for ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
The canonical SMILES for ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine is C/C(CN)=N\OCc1ccoc1.CC.
What is the InChIKey of ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
The InChIKey is IPXLIYPUUFSWDO-HCUGZAAXSA-N. The full InChI is InChI=1S/C8H12N2O2.C2H6/c1-7(4-9)10-12-6-8-2-3-11-5-8;1-2/h2-3,5H,4,6,9H2,1H3;1-2H3/b10-7+;.
What are the key properties of ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine has a molecular weight of 198.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine is sourced from PubChem (CID 142935918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).