N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide

C20H30N2 — CID 129294469

IUPACN-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
SMILESC=C(C/C=C\C(C)=C/C)N/C=N/C(C)C(/C=C/C)=C/C=C\C
InChIInChI=1S/C20H30N2/c1-7-10-15-20(12-8-2)19(6)22-16-21-18(5)14-11-13-17(4)9-3/h7-13,15-16,19H,5,14H2,1-4,6H3,(H,21,22)/b10-7-,12-8+,13-11-,17-9-,20-15+
InChIKeyJMJVRYGSNSOIQZ-IMOVIVDGSA-N
MW298.47 g/mol
LogP5.50
Rot. Bonds9

About N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide

N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide (PubChem CID 129294469) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
PubChem CID129294469
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
SMILESC=C(C/C=C\C(C)=C/C)N/C=N/C(C)C(/C=C/C)=C/C=C\C
InChIInChI=1S/C20H30N2/c1-7-10-15-20(12-8-2)19(6)22-16-21-18(5)14-11-13-17(4)9-3/h7-13,15-16,19H,5,14H2,1-4,6H3,(H,21,22)/b10-7-,12-8+,13-11-,17-9-,20-15+
InChIKeyJMJVRYGSNSOIQZ-IMOVIVDGSA-N
XLogP5.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.50
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-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide?
The IUPAC name of N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide (CID 129294469) is N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide.
What is the SMILES notation for N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide?
The canonical SMILES for N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide is C=C(C/C=C\C(C)=C/C)N/C=N/C(C)C(/C=C/C)=C/C=C\C.
What is the InChIKey of N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide?
The InChIKey is JMJVRYGSNSOIQZ-IMOVIVDGSA-N. The full InChI is InChI=1S/C20H30N2/c1-7-10-15-20(12-8-2)19(6)22-16-21-18(5)14-11-13-17(4)9-3/h7-13,15-16,19H,5,14H2,1-4,6H3,(H,21,22)/b10-7-,12-8+,13-11-,17-9-,20-15+.
What are the key properties of N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide?
N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide has a molecular weight of 298.47 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide is sourced from PubChem (CID 129294469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).