(3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine

C9H22N2O2 — CID 105245242

IUPAC(3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine
SMILESCCCOCC(NN)C(C)(C)OC
InChIInChI=1S/C9H22N2O2/c1-5-6-13-7-8(11-10)9(2,3)12-4/h8,11H,5-7,10H2,1-4H3
InChIKeyQIJZCTRDIWGLAM-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.67
Rot. Bonds7

About (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine

(3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine (PubChem CID 105245242) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine.

Molecular Properties

Compound Name(3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine
PubChem CID105245242
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name(3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine
SMILESCCCOCC(NN)C(C)(C)OC
InChIInChI=1S/C9H22N2O2/c1-5-6-13-7-8(11-10)9(2,3)12-4/h8,11H,5-7,10H2,1-4H3
InChIKeyQIJZCTRDIWGLAM-UHFFFAOYSA-N
XLogP0.67
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine?
The IUPAC name of (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine (CID 105245242) is (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine.
What is the SMILES notation for (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine?
The canonical SMILES for (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine is CCCOCC(NN)C(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine?
The InChIKey is QIJZCTRDIWGLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-5-6-13-7-8(11-10)9(2,3)12-4/h8,11H,5-7,10H2,1-4H3.
What are the key properties of (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine?
(3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine has a molecular weight of 190.29 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methyl-1-propoxybutan-2-yl)hydrazine is sourced from PubChem (CID 105245242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).