N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide

C15H22N2 — CID 118616847

IUPACN'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
SMILESC=C(/C=C\C/C=C/N=C/N)C(/C=C\C)=C/CC
InChIInChI=1S/C15H22N2/c1-4-9-15(10-5-2)14(3)11-7-6-8-12-17-13-16/h4,7-13H,3,5-6H2,1-2H3,(H2,16,17)/b9-4-,11-7-,12-8+,15-10+
InChIKeyMMEJBZICJQWMOU-YKIPSHGUSA-N
MW230.35 g/mol
LogP3.90
Rot. Bonds7

About N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide

N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide (PubChem CID 118616847) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
PubChem CID118616847
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
SMILESC=C(/C=C\C/C=C/N=C/N)C(/C=C\C)=C/CC
InChIInChI=1S/C15H22N2/c1-4-9-15(10-5-2)14(3)11-7-6-8-12-17-13-16/h4,7-13H,3,5-6H2,1-2H3,(H2,16,17)/b9-4-,11-7-,12-8+,15-10+
InChIKeyMMEJBZICJQWMOU-YKIPSHGUSA-N
XLogP3.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide?
The IUPAC name of N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide (CID 118616847) is N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide.
What is the SMILES notation for N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide?
The canonical SMILES for N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide is C=C(/C=C\C/C=C/N=C/N)C(/C=C\C)=C/CC.
What is the InChIKey of N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide?
The InChIKey is MMEJBZICJQWMOU-YKIPSHGUSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-9-15(10-5-2)14(3)11-7-6-8-12-17-13-16/h4,7-13H,3,5-6H2,1-2H3,(H2,16,17)/b9-4-,11-7-,12-8+,15-10+.
What are the key properties of N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide?
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide has a molecular weight of 230.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide is sourced from PubChem (CID 118616847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).