(2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide

C15H21N3O — CID 139476336

IUPAC(2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide
SMILESC=C/C(N)=C\C=C(/C)NC(=O)/C(C=C)=C/C=C(\C)N
InChIInChI=1S/C15H21N3O/c1-5-13(9-7-11(3)16)15(19)18-12(4)8-10-14(17)6-2/h5-10H,1-2,16-17H2,3-4H3,(H,18,19)/b11-7+,12-8+,13-9+,14-10+
InChIKeyXVAJNXJXNILFCK-DQVHGGFXSA-N
MW259.35 g/mol
LogP2.01
Rot. Bonds6

About (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide

(2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide (PubChem CID 139476336) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide
PubChem CID139476336
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide
SMILESC=C/C(N)=C\C=C(/C)NC(=O)/C(C=C)=C/C=C(\C)N
InChIInChI=1S/C15H21N3O/c1-5-13(9-7-11(3)16)15(19)18-12(4)8-10-14(17)6-2/h5-10H,1-2,16-17H2,3-4H3,(H,18,19)/b11-7+,12-8+,13-9+,14-10+
InChIKeyXVAJNXJXNILFCK-DQVHGGFXSA-N
XLogP2.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 9812916
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CID 53420635
CID 53420635
CID 53426994
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CID 12354335
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CID 13494636
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CID 12354332
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CID 2797876
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CID 145084850
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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide (CID 139476336) is (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide is C=C/C(N)=C\C=C(/C)NC(=O)/C(C=C)=C/C=C(\C)N.
What is the InChIKey of (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide?
The InChIKey is XVAJNXJXNILFCK-DQVHGGFXSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-13(9-7-11(3)16)15(19)18-12(4)8-10-14(17)6-2/h5-10H,1-2,16-17H2,3-4H3,(H,18,19)/b11-7+,12-8+,13-9+,14-10+.
What are the key properties of (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide?
(2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide has a molecular weight of 259.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-N-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-2-ethenylhexa-2,4-dienamide is sourced from PubChem (CID 139476336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).