(1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine

C15H22N2O2 — CID 153497948

IUPAC(1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine
SMILESC=C/C(=C\C(=C\N)OC)C/C=C/C(OC)=C(/N)C=C
InChIInChI=1S/C15H22N2O2/c1-5-12(10-13(11-16)18-3)8-7-9-15(19-4)14(17)6-2/h5-7,9-11H,1-2,8,16-17H2,3-4H3/b9-7+,12-10+,13-11-,15-14-
InChIKeyYHECMTKVBATXKF-AKSOVUSXSA-N
MW262.35 g/mol
LogP2.49
Rot. Bonds8

About (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine

(1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine (PubChem CID 153497948) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine.

Molecular Properties

Compound Name(1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine
PubChem CID153497948
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine
SMILESC=C/C(=C\C(=C\N)OC)C/C=C/C(OC)=C(/N)C=C
InChIInChI=1S/C15H22N2O2/c1-5-12(10-13(11-16)18-3)8-7-9-15(19-4)14(17)6-2/h5-7,9-11H,1-2,8,16-17H2,3-4H3/b9-7+,12-10+,13-11-,15-14-
InChIKeyYHECMTKVBATXKF-AKSOVUSXSA-N
XLogP2.49
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine with MolForge

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Related Compounds

(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienal
CID 144711448
(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine
CID 164593356
ethane;(3Z,5E)-3-ethoxy-4-methoxyocta-1,3,5-triene
CID 165130327
(2Z,4Z,7Z)-5-ethenyl-3-methoxydodeca-2,4,7-trien-2-ol
CID 142520586
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286
(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
CID 143865057
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
methyl 6-amino-2-methylidene-6-oxohex-4-enoate
CID 87184506
ethane;(1Z,3Z,6Z)-6-ethenylocta-1,3,6-trien-1-amine
CID 145186821
(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610850
(3Z,5E)-3,4,10-trimethoxydeca-1,3,5-triene
CID 138511621

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine?
The IUPAC name of (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine (CID 153497948) is (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine.
What is the SMILES notation for (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine?
The canonical SMILES for (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine is C=C/C(=C\C(=C\N)OC)C/C=C/C(OC)=C(/N)C=C.
What is the InChIKey of (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine?
The InChIKey is YHECMTKVBATXKF-AKSOVUSXSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-12(10-13(11-16)18-3)8-7-9-15(19-4)14(17)6-2/h5-7,9-11H,1-2,8,16-17H2,3-4H3/b9-7+,12-10+,13-11-,15-14-.
What are the key properties of (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine?
(1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine has a molecular weight of 262.35 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine is sourced from PubChem (CID 153497948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).