3,3,4-trimethylheptylhydrazine

C10H24N2 — CID 163637061

IUPAC3,3,4-trimethylheptylhydrazine
SMILESCCCC(C)C(C)(C)CCNN
InChIInChI=1S/C10H24N2/c1-5-6-9(2)10(3,4)7-8-12-11/h9,12H,5-8,11H2,1-4H3
InChIKeyIBBMLSSKCYOOFI-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.30
Rot. Bonds6

About 3,3,4-trimethylheptylhydrazine

3,3,4-trimethylheptylhydrazine (PubChem CID 163637061) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3,3,4-trimethylheptylhydrazine.

Molecular Properties

Compound Name3,3,4-trimethylheptylhydrazine
PubChem CID163637061
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3,3,4-trimethylheptylhydrazine
SMILESCCCC(C)C(C)(C)CCNN
InChIInChI=1S/C10H24N2/c1-5-6-9(2)10(3,4)7-8-12-11/h9,12H,5-8,11H2,1-4H3
InChIKeyIBBMLSSKCYOOFI-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.30
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'}

Analyze 3,3,4-trimethylheptylhydrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethylheptylhydrazine?
The IUPAC name of 3,3,4-trimethylheptylhydrazine (CID 163637061) is 3,3,4-trimethylheptylhydrazine.
What is the SMILES notation for 3,3,4-trimethylheptylhydrazine?
The canonical SMILES for 3,3,4-trimethylheptylhydrazine is CCCC(C)C(C)(C)CCNN.
What is the InChIKey of 3,3,4-trimethylheptylhydrazine?
The InChIKey is IBBMLSSKCYOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-6-9(2)10(3,4)7-8-12-11/h9,12H,5-8,11H2,1-4H3.
What are the key properties of 3,3,4-trimethylheptylhydrazine?
3,3,4-trimethylheptylhydrazine has a molecular weight of 172.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylheptylhydrazine is sourced from PubChem (CID 163637061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).