1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine

C14H24N2 — CID 166873985

IUPAC1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine
SMILESC=C/C=C\C=C(/C)CCNC(=C)NCCC
InChIInChI=1S/C14H24N2/c1-5-7-8-9-13(3)10-12-16-14(4)15-11-6-2/h5,7-9,15-16H,1,4,6,10-12H2,2-3H3/b8-7-,13-9+
InChIKeyOUODBEYQXJSXOJ-XTYDYKDCSA-N
MW220.36 g/mol
LogP3.13
Rot. Bonds9

About 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine

1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine (PubChem CID 166873985) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine
PubChem CID166873985
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine
SMILESC=C/C=C\C=C(/C)CCNC(=C)NCCC
InChIInChI=1S/C14H24N2/c1-5-7-8-9-13(3)10-12-16-14(4)15-11-6-2/h5,7-9,15-16H,1,4,6,10-12H2,2-3H3/b8-7-,13-9+
InChIKeyOUODBEYQXJSXOJ-XTYDYKDCSA-N
XLogP3.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine?
The IUPAC name of 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine (CID 166873985) is 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine?
The canonical SMILES for 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine is C=C/C=C\C=C(/C)CCNC(=C)NCCC.
What is the InChIKey of 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine?
The InChIKey is OUODBEYQXJSXOJ-XTYDYKDCSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-8-9-13(3)10-12-16-14(4)15-11-6-2/h5,7-9,15-16H,1,4,6,10-12H2,2-3H3/b8-7-,13-9+.
What are the key properties of 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine?
1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine is sourced from PubChem (CID 166873985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).