(2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal

C15H20F2N2O — CID 163812402

IUPAC(2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal
SMILESC=C/C(F)=C\C(F)=C(N)\C(NCC)=C(C)\C=C(\C)C=O
InChIInChI=1S/C15H20F2N2O/c1-5-12(16)8-13(17)14(18)15(19-6-2)11(4)7-10(3)9-20/h5,7-9,19H,1,6,18H2,2-4H3/b10-7-,12-8+,14-13+,15-11-
InChIKeyNOKQNKIJQABXEZ-MBWOWRFXSA-N
MW282.33 g/mol
LogP3.19
Rot. Bonds7

About (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal

(2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal (PubChem CID 163812402) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name(2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal
PubChem CID163812402
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal
SMILESC=C/C(F)=C\C(F)=C(N)\C(NCC)=C(C)\C=C(\C)C=O
InChIInChI=1S/C15H20F2N2O/c1-5-12(16)8-13(17)14(18)15(19-6-2)11(4)7-10(3)9-20/h5,7-9,19H,1,6,18H2,2-4H3/b10-7-,12-8+,14-13+,15-11-
InChIKeyNOKQNKIJQABXEZ-MBWOWRFXSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal?
The IUPAC name of (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal (CID 163812402) is (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal.
What is the SMILES notation for (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal?
The canonical SMILES for (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal is C=C/C(F)=C\C(F)=C(N)\C(NCC)=C(C)\C=C(\C)C=O.
What is the InChIKey of (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal?
The InChIKey is NOKQNKIJQABXEZ-MBWOWRFXSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-5-12(16)8-13(17)14(18)15(19-6-2)11(4)7-10(3)9-20/h5,7-9,19H,1,6,18H2,2-4H3/b10-7-,12-8+,14-13+,15-11-.
What are the key properties of (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal?
(2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal has a molecular weight of 282.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,8E)-6-amino-5-(ethylamino)-7,9-difluoro-2,4-dimethylundeca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 163812402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).