1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine

C10H18N2O — CID 87171909

IUPAC1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine
SMILESC=C(N)NCC/C(C)=C/C(=C)OC
InChIInChI=1S/C10H18N2O/c1-8(7-9(2)13-4)5-6-12-10(3)11/h7,12H,2-3,5-6,11H2,1,4H3/b8-7+
InChIKeyYUIZCAMPUZERQJ-BQYQJAHWSA-N
MW182.27 g/mol
LogP1.50
Rot. Bonds6

About 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine

1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine (PubChem CID 87171909) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine
PubChem CID87171909
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine
SMILESC=C(N)NCC/C(C)=C/C(=C)OC
InChIInChI=1S/C10H18N2O/c1-8(7-9(2)13-4)5-6-12-10(3)11/h7,12H,2-3,5-6,11H2,1,4H3/b8-7+
InChIKeyYUIZCAMPUZERQJ-BQYQJAHWSA-N
XLogP1.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine (CID 87171909) is 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine is C=C(N)NCC/C(C)=C/C(=C)OC.
What is the InChIKey of 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine?
The InChIKey is YUIZCAMPUZERQJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(7-9(2)13-4)5-6-12-10(3)11/h7,12H,2-3,5-6,11H2,1,4H3/b8-7+.
What are the key properties of 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine?
1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine is sourced from PubChem (CID 87171909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).