4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine

C13H18N2O — CID 149179096

IUPAC4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine
SMILESCOCC(N)=C(C)/C=N/Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(13(14)10-16-2)8-15-9-12-6-4-3-5-7-12/h3-8H,9-10,14H2,1-2H3/b13-11?,15-8+
InChIKeySVSCIOFWKPYZME-QXMPWXDGSA-N
MW218.30 g/mol
LogP2.14
Rot. Bonds5

About 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine

4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine (PubChem CID 149179096) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine.

Molecular Properties

Compound Name4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine
PubChem CID149179096
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine
SMILESCOCC(N)=C(C)/C=N/Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(13(14)10-16-2)8-15-9-12-6-4-3-5-7-12/h3-8H,9-10,14H2,1-2H3/b13-11?,15-8+
InChIKeySVSCIOFWKPYZME-QXMPWXDGSA-N
XLogP2.14
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine?
The IUPAC name of 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine (CID 149179096) is 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine.
What is the SMILES notation for 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine?
The canonical SMILES for 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine is COCC(N)=C(C)/C=N/Cc1ccccc1.
What is the InChIKey of 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine?
The InChIKey is SVSCIOFWKPYZME-QXMPWXDGSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(13(14)10-16-2)8-15-9-12-6-4-3-5-7-12/h3-8H,9-10,14H2,1-2H3/b13-11?,15-8+.
What are the key properties of 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine?
4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylimino-1-methoxy-3-methylbut-2-en-2-amine is sourced from PubChem (CID 149179096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).