1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine

C12H24N2 — CID 134443699

IUPAC1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine
SMILESC/C=C\C(=C/N(N)C(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-7-8-11(12(4,5)6)9-14(13)10(2)3/h7-10H,13H2,1-6H3/b8-7-,11-9+
InChIKeyNASCAZGWGSWJOT-NSXXKTIASA-N
MW196.34 g/mol
LogP3.08
Rot. Bonds3

About 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine

1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine (PubChem CID 134443699) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine.

Molecular Properties

Compound Name1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine
PubChem CID134443699
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine
SMILESC/C=C\C(=C/N(N)C(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-7-8-11(12(4,5)6)9-14(13)10(2)3/h7-10H,13H2,1-6H3/b8-7-,11-9+
InChIKeyNASCAZGWGSWJOT-NSXXKTIASA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.08
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-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine?
The IUPAC name of 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine (CID 134443699) is 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine.
What is the SMILES notation for 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine?
The canonical SMILES for 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine is C/C=C\C(=C/N(N)C(C)C)C(C)(C)C.
What is the InChIKey of 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine?
The InChIKey is NASCAZGWGSWJOT-NSXXKTIASA-N. The full InChI is InChI=1S/C12H24N2/c1-7-8-11(12(4,5)6)9-14(13)10(2)3/h7-10H,13H2,1-6H3/b8-7-,11-9+.
What are the key properties of 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine?
1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine has a molecular weight of 196.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-1-propan-2-ylhydrazine is sourced from PubChem (CID 134443699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).