(2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine

C19H23N — CID 144876387

IUPAC(2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine
SMILES[H]/N=C(C(\C)=C/CC(=C/C=C)/C(C)=C\C)/c1ccccc1
InChIInChI=1S/C19H23N/c1-5-10-17(15(3)6-2)14-13-16(4)19(20)18-11-8-7-9-12-18/h5-13,20H,1,14H2,2-4H3/b15-6-,16-13-,17-10-,20-19+
InChIKeyHWFKKHZDHCMUQP-PJQRLZKDSA-N
MW265.40 g/mol
LogP5.47
Rot. Bonds6

About (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine

(2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine (PubChem CID 144876387) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine.

Molecular Properties

Compound Name(2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine
PubChem CID144876387
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine
SMILES[H]/N=C(C(\C)=C/CC(=C/C=C)/C(C)=C\C)/c1ccccc1
InChIInChI=1S/C19H23N/c1-5-10-17(15(3)6-2)14-13-16(4)19(20)18-11-8-7-9-12-18/h5-13,20H,1,14H2,2-4H3/b15-6-,16-13-,17-10-,20-19+
InChIKeyHWFKKHZDHCMUQP-PJQRLZKDSA-N
XLogP5.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine?
The IUPAC name of (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine (CID 144876387) is (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine.
What is the SMILES notation for (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine?
The canonical SMILES for (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine is [H]/N=C(C(\C)=C/CC(=C/C=C)/C(C)=C\C)/c1ccccc1.
What is the InChIKey of (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine?
The InChIKey is HWFKKHZDHCMUQP-PJQRLZKDSA-N. The full InChI is InChI=1S/C19H23N/c1-5-10-17(15(3)6-2)14-13-16(4)19(20)18-11-8-7-9-12-18/h5-13,20H,1,14H2,2-4H3/b15-6-,16-13-,17-10-,20-19+.
What are the key properties of (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine?
(2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine has a molecular weight of 265.40 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine is sourced from PubChem (CID 144876387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).