(E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine

C11H20N2 — CID 134894729

IUPAC(E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
SMILESC[C@@H]1[C@H](C)[C@H]2C[C@@H]1/C(=N\N)C2(C)C
InChIInChI=1S/C11H20N2/c1-6-7(2)9-5-8(6)10(13-12)11(9,3)4/h6-9H,5,12H2,1-4H3/b13-10+/t6-,7+,8+,9-/m1/s1
InChIKeyRMZFLEIHVOEMFO-VMDDLEMGSA-N
MW180.29 g/mol
LogP2.25
Rot. Bonds

About (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine

(E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine (PubChem CID 134894729) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
PubChem CID134894729
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
SMILESC[C@@H]1[C@H](C)[C@H]2C[C@@H]1/C(=N\N)C2(C)C
InChIInChI=1S/C11H20N2/c1-6-7(2)9-5-8(6)10(13-12)11(9,3)4/h6-9H,5,12H2,1-4H3/b13-10+/t6-,7+,8+,9-/m1/s1
InChIKeyRMZFLEIHVOEMFO-VMDDLEMGSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,10,10-Trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene
CID 46227843
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-imine
CID 3922441
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, hydrazone
CID 4455890
Camphor guanylhydrazone
CID 421700
(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813886
1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one imine hydrochloride
CID 12285108
Fenchonhydrazon
CID 12526703
{1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ylidene}hydrazine
CID 12526705
(2Z)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one hydrazone
CID 117070103
Thujonhydrazon
CID 129636842
(s)Camphor imine
CID 129681601

Frequently Asked Questions

What is the IUPAC name of (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine?
The IUPAC name of (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine (CID 134894729) is (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine.
What is the SMILES notation for (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine?
The canonical SMILES for (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine is C[C@@H]1[C@H](C)[C@H]2C[C@@H]1/C(=N\N)C2(C)C.
What is the InChIKey of (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine?
The InChIKey is RMZFLEIHVOEMFO-VMDDLEMGSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7(2)9-5-8(6)10(13-12)11(9,3)4/h6-9H,5,12H2,1-4H3/b13-10+/t6-,7+,8+,9-/m1/s1.
What are the key properties of (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine?
(E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine has a molecular weight of 180.29 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(1S,4R,5S,6R)-3,3,5,6-tetramethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine is sourced from PubChem (CID 134894729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).