1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine

C14H28N2 — CID 166857373

IUPAC1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine
SMILESC/C=C\C(=C(/N(C)N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-9-10-11(13(2,3)4)12(16(8)15)14(5,6)7/h9-10H,15H2,1-8H3/b10-9-,12-11+
InChIKeyFSYLAGNJDGCVEN-XAZJVICWSA-N
MW224.39 g/mol
LogP3.71
Rot. Bonds2

About 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine

1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine (PubChem CID 166857373) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine
PubChem CID166857373
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine
SMILESC/C=C\C(=C(/N(C)N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-9-10-11(13(2,3)4)12(16(8)15)14(5,6)7/h9-10H,15H2,1-8H3/b10-9-,12-11+
InChIKeyFSYLAGNJDGCVEN-XAZJVICWSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine?
The IUPAC name of 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine (CID 166857373) is 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine?
The canonical SMILES for 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine is C/C=C\C(=C(/N(C)N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine?
The InChIKey is FSYLAGNJDGCVEN-XAZJVICWSA-N. The full InChI is InChI=1S/C14H28N2/c1-9-10-11(13(2,3)4)12(16(8)15)14(5,6)7/h9-10H,15H2,1-8H3/b10-9-,12-11+.
What are the key properties of 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine?
1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine has a molecular weight of 224.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-4-tert-butyl-2,2-dimethylhepta-3,5-dien-3-yl]-1-methylhydrazine is sourced from PubChem (CID 166857373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).