N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine

C11H18N2O — CID 89096718

IUPACN-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine
SMILESC=C(C)C(/N=C/C)=C(\N=C(C)C)OC
InChIInChI=1S/C11H18N2O/c1-7-12-10(8(2)3)11(14-6)13-9(4)5/h7H,2H2,1,3-6H3/b11-10-,12-7+
InChIKeyWAHHEULHINTIRJ-LVILPVEGSA-N
MW194.28 g/mol
LogP2.95
Rot. Bonds4

About N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine

N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine (PubChem CID 89096718) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine
PubChem CID89096718
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine
SMILESC=C(C)C(/N=C/C)=C(\N=C(C)C)OC
InChIInChI=1S/C11H18N2O/c1-7-12-10(8(2)3)11(14-6)13-9(4)5/h7H,2H2,1,3-6H3/b11-10-,12-7+
InChIKeyWAHHEULHINTIRJ-LVILPVEGSA-N
XLogP2.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine?
The IUPAC name of N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine (CID 89096718) is N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine.
What is the SMILES notation for N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine?
The canonical SMILES for N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine is C=C(C)C(/N=C/C)=C(\N=C(C)C)OC.
What is the InChIKey of N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine?
The InChIKey is WAHHEULHINTIRJ-LVILPVEGSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-12-10(8(2)3)11(14-6)13-9(4)5/h7H,2H2,1,3-6H3/b11-10-,12-7+.
What are the key properties of N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine?
N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine has a molecular weight of 194.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine is sourced from PubChem (CID 89096718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).