5-butyl-N-methoxyfuran-3-imine

C9H15NO2 — CID 174903780

IUPAC5-butyl-N-methoxyfuran-3-imine
SMILESCCCCC1=CC(=NOC)CO1
InChIInChI=1S/C9H15NO2/c1-3-4-5-9-6-8(7-12-9)10-11-2/h6H,3-5,7H2,1-2H3
InChIKeyOOURILHLGTUYIO-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.09
Rot. Bonds4

About 5-butyl-N-methoxyfuran-3-imine

5-butyl-N-methoxyfuran-3-imine (PubChem CID 174903780) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-butyl-N-methoxyfuran-3-imine.

Molecular Properties

Compound Name5-butyl-N-methoxyfuran-3-imine
PubChem CID174903780
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-butyl-N-methoxyfuran-3-imine
SMILESCCCCC1=CC(=NOC)CO1
InChIInChI=1S/C9H15NO2/c1-3-4-5-9-6-8(7-12-9)10-11-2/h6H,3-5,7H2,1-2H3
InChIKeyOOURILHLGTUYIO-UHFFFAOYSA-N
XLogP2.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(3-butyl-1H-isochromen-5-yl)methanol;carbon monoxide;chromium
CID 134999157
3-butyl-1-methoxy-1H-isochromene
CID 15544138
3-butyl-2H-oxete
CID 141123822
3-butyl-6-pentyl-2,3-dihydropyran-4-one
CID 10561126
methoxymethane;pentane
CID 87151149
3-propyl-1H-isochromene
CID 15417197
2-heptadecyloxirene
CID 91445376
5-butyl-3H-furan-2-thione
CID 15370713
6-butyl-2-hexyl-2,3-dihydropyran-4-one
CID 86057082
5-butyl-4-methoxypyrimidin-2-amine
CID 13301093
methoxymethane;undecane
CID 174775722
3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
CID 101202010

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-methoxyfuran-3-imine?
The IUPAC name of 5-butyl-N-methoxyfuran-3-imine (CID 174903780) is 5-butyl-N-methoxyfuran-3-imine.
What is the SMILES notation for 5-butyl-N-methoxyfuran-3-imine?
The canonical SMILES for 5-butyl-N-methoxyfuran-3-imine is CCCCC1=CC(=NOC)CO1.
What is the InChIKey of 5-butyl-N-methoxyfuran-3-imine?
The InChIKey is OOURILHLGTUYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-5-9-6-8(7-12-9)10-11-2/h6H,3-5,7H2,1-2H3.
What are the key properties of 5-butyl-N-methoxyfuran-3-imine?
5-butyl-N-methoxyfuran-3-imine has a molecular weight of 169.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-methoxyfuran-3-imine is sourced from PubChem (CID 174903780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).