[4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine

C17H32N2 — CID 139442597

IUPAC[4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine
SMILESCCC(C1C=C(C(C)(C)C)C=CC1NN)C(C)(C)C
InChIInChI=1S/C17H32N2/c1-8-14(17(5,6)7)13-11-12(16(2,3)4)9-10-15(13)19-18/h9-11,13-15,19H,8,18H2,1-7H3
InChIKeyBSGLUSHKNJKWRV-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.05
Rot. Bonds3

About [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine

[4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine (PubChem CID 139442597) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine.

Molecular Properties

Compound Name[4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine
PubChem CID139442597
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name[4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine
SMILESCCC(C1C=C(C(C)(C)C)C=CC1NN)C(C)(C)C
InChIInChI=1S/C17H32N2/c1-8-14(17(5,6)7)13-11-12(16(2,3)4)9-10-15(13)19-18/h9-11,13-15,19H,8,18H2,1-7H3
InChIKeyBSGLUSHKNJKWRV-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine?
The IUPAC name of [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine (CID 139442597) is [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine.
What is the SMILES notation for [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine?
The canonical SMILES for [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine is CCC(C1C=C(C(C)(C)C)C=CC1NN)C(C)(C)C.
What is the InChIKey of [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine?
The InChIKey is BSGLUSHKNJKWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-8-14(17(5,6)7)13-11-12(16(2,3)4)9-10-15(13)19-18/h9-11,13-15,19H,8,18H2,1-7H3.
What are the key properties of [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine?
[4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine has a molecular weight of 264.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine is sourced from PubChem (CID 139442597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).