(1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine

C9H22N2O — CID 105305367

IUPAC(1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine
SMILESCCOCCC(NN)C(C)(C)C
InChIInChI=1S/C9H22N2O/c1-5-12-7-6-8(11-10)9(2,3)4/h8,11H,5-7,10H2,1-4H3
InChIKeyAKAOCJPWEGJIMA-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.29
Rot. Bonds5

About (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine

(1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine (PubChem CID 105305367) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine
PubChem CID105305367
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name(1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine
SMILESCCOCCC(NN)C(C)(C)C
InChIInChI=1S/C9H22N2O/c1-5-12-7-6-8(11-10)9(2,3)4/h8,11H,5-7,10H2,1-4H3
InChIKeyAKAOCJPWEGJIMA-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine 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 (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine?
The IUPAC name of (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine (CID 105305367) is (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine.
What is the SMILES notation for (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine?
The canonical SMILES for (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine is CCOCCC(NN)C(C)(C)C.
What is the InChIKey of (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine?
The InChIKey is AKAOCJPWEGJIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-12-7-6-8(11-10)9(2,3)4/h8,11H,5-7,10H2,1-4H3.
What are the key properties of (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine?
(1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine has a molecular weight of 174.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylpentan-3-yl)hydrazine is sourced from PubChem (CID 105305367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).