(2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal

C15H19NO — CID 145324733

IUPAC(2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal
SMILES[H]/N=C/C(C=O)=C\C(C)=C\C(C=C(C)C)=C\C=C
InChIInChI=1S/C15H19NO/c1-5-6-14(7-12(2)3)8-13(4)9-15(10-16)11-17/h5-11,16H,1H2,2-4H3/b13-8+,14-6+,15-9+,16-10+
InChIKeyFCGJDIWCXOMBKW-XCJGOQQPSA-N
MW229.32 g/mol
LogP3.79
Rot. Bonds6

About (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal

(2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal (PubChem CID 145324733) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal
PubChem CID145324733
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal
SMILES[H]/N=C/C(C=O)=C\C(C)=C\C(C=C(C)C)=C\C=C
InChIInChI=1S/C15H19NO/c1-5-6-14(7-12(2)3)8-13(4)9-15(10-16)11-17/h5-11,16H,1H2,2-4H3/b13-8+,14-6+,15-9+,16-10+
InChIKeyFCGJDIWCXOMBKW-XCJGOQQPSA-N
XLogP3.79
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal?
The IUPAC name of (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal (CID 145324733) is (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal.
What is the SMILES notation for (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal?
The canonical SMILES for (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal is [H]/N=C/C(C=O)=C\C(C)=C\C(C=C(C)C)=C\C=C.
What is the InChIKey of (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal?
The InChIKey is FCGJDIWCXOMBKW-XCJGOQQPSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-6-14(7-12(2)3)8-13(4)9-15(10-16)11-17/h5-11,16H,1H2,2-4H3/b13-8+,14-6+,15-9+,16-10+.
What are the key properties of (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal?
(2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal has a molecular weight of 229.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal is sourced from PubChem (CID 145324733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).