(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine

C9H16N2 — CID 90476379

IUPAC(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine
SMILESCC1(C)[C@H]2CC/C(=N\N)[C@@H]1C2
InChIInChI=1S/C9H16N2/c1-9(2)6-3-4-8(11-10)7(9)5-6/h6-7H,3-5,10H2,1-2H3/b11-8+/t6-,7-/m0/s1
InChIKeyAJLCMRSEWCXTCS-PDIDVQAISA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds

About (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine

(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine (PubChem CID 90476379) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine
PubChem CID90476379
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine
SMILESCC1(C)[C@H]2CC/C(=N\N)[C@@H]1C2
InChIInChI=1S/C9H16N2/c1-9(2)6-3-4-8(11-10)7(9)5-6/h6-7H,3-5,10H2,1-2H3/b11-8+/t6-,7-/m0/s1
InChIKeyAJLCMRSEWCXTCS-PDIDVQAISA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine?
The IUPAC name of (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine (CID 90476379) is (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine.
What is the SMILES notation for (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine?
The canonical SMILES for (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine is CC1(C)[C@H]2CC/C(=N\N)[C@@H]1C2.
What is the InChIKey of (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine?
The InChIKey is AJLCMRSEWCXTCS-PDIDVQAISA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)6-3-4-8(11-10)7(9)5-6/h6-7H,3-5,10H2,1-2H3/b11-8+/t6-,7-/m0/s1.
What are the key properties of (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine?
(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine has a molecular weight of 152.24 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine is sourced from PubChem (CID 90476379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).