1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid

C11H20N2O2 — CID 91378596

IUPAC1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCCCC1=NN
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11(9(14)15)7-5-4-6-8(11)13-12/h4-7,12H2,1-3H3,(H,14,15)
InChIKeyGFFAIXMQRWHNOQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.99
Rot. Bonds1

About 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid

1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid (PubChem CID 91378596) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid
PubChem CID91378596
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCCCC1=NN
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11(9(14)15)7-5-4-6-8(11)13-12/h4-7,12H2,1-3H3,(H,14,15)
InChIKeyGFFAIXMQRWHNOQ-UHFFFAOYSA-N
XLogP1.99
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 9582067
2-Imino-5,5-dimethylcyclohexane-1-carboxylic acid
CID 91008735
(5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid
CID 166883414
3-Diazo-2-pentylheptanoic acid
CID 173663452
2-Diazospiro[2.5]octane-8-carboxylic acid
CID 173838628
3-Imino-2,2-dimethyloctanedioic acid
CID 175210216
(1R,4S)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 829641
CID 2770868
CID 2770868
(1R,3Z,4S)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 5410366
(1S,3Z,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 5424019
(1S,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 6341381
(1R,3E,4R)-3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 6543970

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid?
The IUPAC name of 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid (CID 91378596) is 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid is CC(C)(C)C1(C(=O)O)CCCCC1=NN.
What is the InChIKey of 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid?
The InChIKey is GFFAIXMQRWHNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)11(9(14)15)7-5-4-6-8(11)13-12/h4-7,12H2,1-3H3,(H,14,15).
What are the key properties of 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid?
1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-hydrazinylidenecyclohexane-1-carboxylic acid is sourced from PubChem (CID 91378596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).