(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine

C26H40N6 — CID 89171591

IUPAC(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine
SMILESC/C=C(C)\C(=C/C(=C\C)NC1=NCCN1)CC(/C=C\C(=C/C)NC1=NCCN1)=C(/C)CC
InChIInChI=1S/C26H40N6/c1-7-19(5)21(11-12-23(9-3)31-25-27-13-14-28-25)17-22(20(6)8-2)18-24(10-4)32-26-29-15-16-30-26/h8-12,18H,7,13-17H2,1-6H3,(H2,27,28,31)(H2,29,30,32)/b12-11-,20-8-,21-19-,22-18-,23-9+,24-10+
InChIKeyXFGCUXUSSCGFQI-TWLAVZMJSA-N
MW436.65 g/mol
LogP4.46
Rot. Bonds9

About (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine

(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine (PubChem CID 89171591) has the molecular formula C26H40N6 and a molecular weight of 436.65 g/mol. Its IUPAC name is (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine.

Molecular Properties

Compound Name(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine
PubChem CID89171591
Molecular FormulaC26H40N6
Molecular Weight436.65 g/mol
Exact Mass436.33
IUPAC Name(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine
SMILESC/C=C(C)\C(=C/C(=C\C)NC1=NCCN1)CC(/C=C\C(=C/C)NC1=NCCN1)=C(/C)CC
InChIInChI=1S/C26H40N6/c1-7-19(5)21(11-12-23(9-3)31-25-27-13-14-28-25)17-22(20(6)8-2)18-24(10-4)32-26-29-15-16-30-26/h8-12,18H,7,13-17H2,1-6H3,(H2,27,28,31)(H2,29,30,32)/b12-11-,20-8-,21-19-,22-18-,23-9+,24-10+
InChIKeyXFGCUXUSSCGFQI-TWLAVZMJSA-N
XLogP4.46
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.65
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine?
The IUPAC name of (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine (CID 89171591) is (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine.
What is the SMILES notation for (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine?
The canonical SMILES for (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine is C/C=C(C)\C(=C/C(=C\C)NC1=NCCN1)CC(/C=C\C(=C/C)NC1=NCCN1)=C(/C)CC.
What is the InChIKey of (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine?
The InChIKey is XFGCUXUSSCGFQI-TWLAVZMJSA-N. The full InChI is InChI=1S/C26H40N6/c1-7-19(5)21(11-12-23(9-3)31-25-27-13-14-28-25)17-22(20(6)8-2)18-24(10-4)32-26-29-15-16-30-26/h8-12,18H,7,13-17H2,1-6H3,(H2,27,28,31)(H2,29,30,32)/b12-11-,20-8-,21-19-,22-18-,23-9+,24-10+.
What are the key properties of (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine?
(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine has a molecular weight of 436.65 g/mol, XLogP of 4.46, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine is sourced from PubChem (CID 89171591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).