(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine

C18H33N — CID 89196812

IUPAC(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
SMILES[H]/N=C(\CC)C(C)C/C=C(\C=C)C(CCC)CCCC
InChIInChI=1S/C18H33N/c1-6-10-12-17(11-7-2)16(8-3)14-13-15(5)18(19)9-4/h8,14-15,17,19H,3,6-7,9-13H2,1-2,4-5H3/b16-14+,19-18+
InChIKeyFIUXTBWLSBKVHM-JFUVMGANSA-N
MW263.47 g/mol
LogP6.16
Rot. Bonds11

About (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine

(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine (PubChem CID 89196812) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine.

Molecular Properties

Compound Name(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
PubChem CID89196812
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
SMILES[H]/N=C(\CC)C(C)C/C=C(\C=C)C(CCC)CCCC
InChIInChI=1S/C18H33N/c1-6-10-12-17(11-7-2)16(8-3)14-13-15(5)18(19)9-4/h8,14-15,17,19H,3,6-7,9-13H2,1-2,4-5H3/b16-14+,19-18+
InChIKeyFIUXTBWLSBKVHM-JFUVMGANSA-N
XLogP6.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine?
The IUPAC name of (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine (CID 89196812) is (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine.
What is the SMILES notation for (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine?
The canonical SMILES for (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine is [H]/N=C(\CC)C(C)C/C=C(\C=C)C(CCC)CCCC.
What is the InChIKey of (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine?
The InChIKey is FIUXTBWLSBKVHM-JFUVMGANSA-N. The full InChI is InChI=1S/C18H33N/c1-6-10-12-17(11-7-2)16(8-3)14-13-15(5)18(19)9-4/h8,14-15,17,19H,3,6-7,9-13H2,1-2,4-5H3/b16-14+,19-18+.
What are the key properties of (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine?
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine has a molecular weight of 263.47 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine is sourced from PubChem (CID 89196812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).