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

C8H12N2O2 — CID 58684082

IUPAC(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
SMILESC/C(CN)=N\OCc1ccoc1
InChIInChI=1S/C8H12N2O2/c1-7(4-9)10-12-6-8-2-3-11-5-8/h2-3,5H,4,6,9H2,1H3/b10-7+
InChIKeyJQOLZBPAXBPVTH-JXMROGBWSA-N
MW168.20 g/mol
LogP1.13
Rot. Bonds4

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

(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine (PubChem CID 58684082) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine.

Molecular Properties

Compound Name(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
PubChem CID58684082
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
SMILESC/C(CN)=N\OCc1ccoc1
InChIInChI=1S/C8H12N2O2/c1-7(4-9)10-12-6-8-2-3-11-5-8/h2-3,5H,4,6,9H2,1H3/b10-7+
InChIKeyJQOLZBPAXBPVTH-JXMROGBWSA-N
XLogP1.13
TPSA60.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.13
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'}

Analyze (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-furancarboximidate
CID 19734528
Cyano furan-3-carboximidate
CID 19809439
(E)-N-(furan-3-ylmethoxy)ethanimine
CID 57609423
N-(furan-3-ylmethoxy)ethanimine
CID 57609501
2-(Furan-3-ylmethoxyimino)propan-1-amine
CID 72390930
Methyl furan-3-carboximidate;hydrochloride
CID 131855009
ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
CID 142935918
(Z)-N-(furan-3-ylmethoxy)ethanimine
CID 146809724
N-(furan-3-ylmethoxy)methanimine
CID 174420118
Ethyl furan-3-carboximidate
CID 12231041
Ethyl furan-3-carboximidate;hydrochloride
CID 12231042
2-(furan-3-ylmethoxy)-N-methylethanamine
CID 83171444

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
The IUPAC name of (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine (CID 58684082) is (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine.
What is the SMILES notation for (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
The canonical SMILES for (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine is C/C(CN)=N\OCc1ccoc1.
What is the InChIKey of (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
The InChIKey is JQOLZBPAXBPVTH-JXMROGBWSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(4-9)10-12-6-8-2-3-11-5-8/h2-3,5H,4,6,9H2,1H3/b10-7+.
What are the key properties of (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine?
(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine has a molecular weight of 168.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(furan-3-ylmethoxyimino)propan-1-amine is sourced from PubChem (CID 58684082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).