2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine

C12H24N2 — CID 87771116

IUPAC2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine
SMILESCC(=CC(=NN)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-9(11(2,3)4)8-10(14-13)12(5,6)7/h8H,13H2,1-7H3
InChIKeyZCKKKENUDPCBLU-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.34
Rot. Bonds1

About 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine

2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine (PubChem CID 87771116) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine.

Molecular Properties

Compound Name2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine
PubChem CID87771116
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine
SMILESCC(=CC(=NN)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-9(11(2,3)4)8-10(14-13)12(5,6)7/h8H,13H2,1-7H3
InChIKeyZCKKKENUDPCBLU-UHFFFAOYSA-N
XLogP3.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.34
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'}

Analyze 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydrazine
CID 134876331
4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-
CID 3566905
(E)-[(Z)-2,2-dimethylhex-4-en-3-ylidene]hydrazine
CID 57942592
CID 88968558
CID 88968558
(Z)-[(4Z)-2,6-dimethylhepta-4,6-dien-3-ylidene]hydrazine
CID 89098775
(E)-4,5,5-trimethylhex-3-en-2-imine
CID 117717653
(4Z,6E)-2,2,5,7,8,8-hexamethylnona-4,6-dien-3-imine
CID 118188701
2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine
CID 123257514
(E)-(4,4-dimethylcyclohepta-2,6-dien-1-ylidene)hydrazine
CID 123493409
(E)-(4,4,7,7-tetramethylcycloocta-2,5-dien-1-ylidene)hydrazine
CID 123583253
(Z)-(4,4-dimethylcyclohepta-2,6-dien-1-ylidene)hydrazine
CID 123805728
2,2,5-Trimethylhex-4-en-3-imine
CID 123880351

Frequently Asked Questions

What is the IUPAC name of 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine?
The IUPAC name of 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine (CID 87771116) is 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine.
What is the SMILES notation for 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine?
The canonical SMILES for 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine is CC(=CC(=NN)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine?
The InChIKey is ZCKKKENUDPCBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(11(2,3)4)8-10(14-13)12(5,6)7/h8H,13H2,1-7H3.
What are the key properties of 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine?
2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine has a molecular weight of 196.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6,6-pentamethylhept-4-en-3-ylidenehydrazine is sourced from PubChem (CID 87771116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).