N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine

C9H14N2O2 — CID 130370019

IUPACN-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine
SMILESCOCc1ccc(/C=N/N(C)C)o1
InChIInChI=1S/C9H14N2O2/c1-11(2)10-6-8-4-5-9(13-8)7-12-3/h4-6H,7H2,1-3H3/b10-6+
InChIKeyXIFBWHBJVDCVSQ-UXBLZVDNSA-N
MW182.22 g/mol
LogP1.32
Rot. Bonds4

About N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine

N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine (PubChem CID 130370019) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine
PubChem CID130370019
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine
SMILESCOCc1ccc(/C=N/N(C)C)o1
InChIInChI=1S/C9H14N2O2/c1-11(2)10-6-8-4-5-9(13-8)7-12-3/h4-6H,7H2,1-3H3/b10-6+
InChIKeyXIFBWHBJVDCVSQ-UXBLZVDNSA-N
XLogP1.32
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
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 N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine (CID 130370019) is N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine is COCc1ccc(/C=N/N(C)C)o1.
What is the InChIKey of N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
The InChIKey is XIFBWHBJVDCVSQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11(2)10-6-8-4-5-9(13-8)7-12-3/h4-6H,7H2,1-3H3/b10-6+.
What are the key properties of N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine has a molecular weight of 182.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 130370019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).