1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine

C17H26N2 — CID 139395186

IUPAC1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine
SMILESC=CC(=C)NNC1C=CC1/C=C(/C)C(=C)C(C)CC
InChIInChI=1S/C17H26N2/c1-7-12(3)15(6)13(4)11-16-9-10-17(16)19-18-14(5)8-2/h8-12,16-19H,2,5-7H2,1,3-4H3/b13-11-
InChIKeyWYRPDEIOBPQEGO-QBFSEMIESA-N
MW258.41 g/mol
LogP3.88
Rot. Bonds8

About 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine

1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine (PubChem CID 139395186) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine
PubChem CID139395186
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine
SMILESC=CC(=C)NNC1C=CC1/C=C(/C)C(=C)C(C)CC
InChIInChI=1S/C17H26N2/c1-7-12(3)15(6)13(4)11-16-9-10-17(16)19-18-14(5)8-2/h8-12,16-19H,2,5-7H2,1,3-4H3/b13-11-
InChIKeyWYRPDEIOBPQEGO-QBFSEMIESA-N
XLogP3.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine?
The IUPAC name of 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine (CID 139395186) is 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine is C=CC(=C)NNC1C=CC1/C=C(/C)C(=C)C(C)CC.
What is the InChIKey of 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine?
The InChIKey is WYRPDEIOBPQEGO-QBFSEMIESA-N. The full InChI is InChI=1S/C17H26N2/c1-7-12(3)15(6)13(4)11-16-9-10-17(16)19-18-14(5)8-2/h8-12,16-19H,2,5-7H2,1,3-4H3/b13-11-.
What are the key properties of 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine?
1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine has a molecular weight of 258.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-2-[4-[(Z)-2,4-dimethyl-3-methylidenehex-1-enyl]cyclobut-2-en-1-yl]hydrazine is sourced from PubChem (CID 139395186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).