(1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine

C29H49N5 — CID 131995884

IUPAC(1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine
SMILESC=CC(C(C)C)N(C(=C)N(C)C)C(C)/C(=C\C=C/N)C(=C)N1CCN(C/C(C)=C\C(C)=C/C)C1
InChIInChI=1S/C29H49N5/c1-12-23(5)19-24(6)20-32-17-18-33(21-32)25(7)28(15-14-16-30)26(8)34(27(9)31(10)11)29(13-2)22(3)4/h12-16,19,22,26,29H,2,7,9,17-18,20-21,30H2,1,3-6,8,10-11H3/b16-14-,23-12-,24-19-,28-15-
InChIKeyADMDMGFOKHUVIK-AUHDMILZSA-N
MW467.75 g/mol
LogP5.32
Rot. Bonds13

About (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine

(1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine (PubChem CID 131995884) has the molecular formula C29H49N5 and a molecular weight of 467.75 g/mol. Its IUPAC name is (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine
PubChem CID131995884
Molecular FormulaC29H49N5
Molecular Weight467.75 g/mol
Exact Mass467.40
IUPAC Name(1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine
SMILESC=CC(C(C)C)N(C(=C)N(C)C)C(C)/C(=C\C=C/N)C(=C)N1CCN(C/C(C)=C\C(C)=C/C)C1
InChIInChI=1S/C29H49N5/c1-12-23(5)19-24(6)20-32-17-18-33(21-32)25(7)28(15-14-16-30)26(8)34(27(9)31(10)11)29(13-2)22(3)4/h12-16,19,22,26,29H,2,7,9,17-18,20-21,30H2,1,3-6,8,10-11H3/b16-14-,23-12-,24-19-,28-15-
InChIKeyADMDMGFOKHUVIK-AUHDMILZSA-N
XLogP5.32
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.75
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine?
The IUPAC name of (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine (CID 131995884) is (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine?
The canonical SMILES for (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine is C=CC(C(C)C)N(C(=C)N(C)C)C(C)/C(=C\C=C/N)C(=C)N1CCN(C/C(C)=C\C(C)=C/C)C1.
What is the InChIKey of (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine?
The InChIKey is ADMDMGFOKHUVIK-AUHDMILZSA-N. The full InChI is InChI=1S/C29H49N5/c1-12-23(5)19-24(6)20-32-17-18-33(21-32)25(7)28(15-14-16-30)26(8)34(27(9)31(10)11)29(13-2)22(3)4/h12-16,19,22,26,29H,2,7,9,17-18,20-21,30H2,1,3-6,8,10-11H3/b16-14-,23-12-,24-19-,28-15-.
What are the key properties of (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine?
(1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine has a molecular weight of 467.75 g/mol, XLogP of 5.32, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-N-[1-(dimethylamino)ethenyl]-4-[1-[3-[(2Z,4Z)-2,4-dimethylhexa-2,4-dienyl]imidazolidin-1-yl]ethenyl]-5-N-(4-methylpent-1-en-3-yl)hexa-1,3-diene-1,5-diamine is sourced from PubChem (CID 131995884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).