(7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine

C15H21N — CID 123519696

IUPAC(7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine
SMILESC=CC/N=C(\C=C)C(C)=CC/C=C/C=CC
InChIInChI=1S/C15H21N/c1-5-8-9-10-11-12-14(4)15(7-3)16-13-6-2/h5-10,12H,2-3,11,13H2,1,4H3/b8-5?,10-9+,14-12?,16-15+
InChIKeyDLKJOPDKCNUAHI-VKOKGVQHSA-N
MW215.34 g/mol
LogP4.27
Rot. Bonds7

About (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine

(7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine (PubChem CID 123519696) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine.

Molecular Properties

Compound Name(7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine
PubChem CID123519696
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine
SMILESC=CC/N=C(\C=C)C(C)=CC/C=C/C=CC
InChIInChI=1S/C15H21N/c1-5-8-9-10-11-12-14(4)15(7-3)16-13-6-2/h5-10,12H,2-3,11,13H2,1,4H3/b8-5?,10-9+,14-12?,16-15+
InChIKeyDLKJOPDKCNUAHI-VKOKGVQHSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine?
The IUPAC name of (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine (CID 123519696) is (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine.
What is the SMILES notation for (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine?
The canonical SMILES for (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine is C=CC/N=C(\C=C)C(C)=CC/C=C/C=CC.
What is the InChIKey of (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine?
The InChIKey is DLKJOPDKCNUAHI-VKOKGVQHSA-N. The full InChI is InChI=1S/C15H21N/c1-5-8-9-10-11-12-14(4)15(7-3)16-13-6-2/h5-10,12H,2-3,11,13H2,1,4H3/b8-5?,10-9+,14-12?,16-15+.
What are the key properties of (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine?
(7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine has a molecular weight of 215.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-4-methyl-N-prop-2-enylundeca-1,4,7,9-tetraen-3-imine is sourced from PubChem (CID 123519696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).