[2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine

C11H22N4O — CID 103140646

IUPAC[2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine
SMILESCOC(C(NN)c1ccn(C)n1)C(C)(C)C
InChIInChI=1S/C11H22N4O/c1-11(2,3)10(16-5)9(13-12)8-6-7-15(4)14-8/h6-7,9-10,13H,12H2,1-5H3
InChIKeyRSVUKTRRZFVBCR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.99
Rot. Bonds4

About [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine

[2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine (PubChem CID 103140646) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine.

Molecular Properties

Compound Name[2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine
PubChem CID103140646
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name[2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine
SMILESCOC(C(NN)c1ccn(C)n1)C(C)(C)C
InChIInChI=1S/C11H22N4O/c1-11(2,3)10(16-5)9(13-12)8-6-7-15(4)14-8/h6-7,9-10,13H,12H2,1-5H3
InChIKeyRSVUKTRRZFVBCR-UHFFFAOYSA-N
XLogP0.99
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine?
The IUPAC name of [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine (CID 103140646) is [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine.
What is the SMILES notation for [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine?
The canonical SMILES for [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine is COC(C(NN)c1ccn(C)n1)C(C)(C)C.
What is the InChIKey of [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine?
The InChIKey is RSVUKTRRZFVBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-11(2,3)10(16-5)9(13-12)8-6-7-15(4)14-8/h6-7,9-10,13H,12H2,1-5H3.
What are the key properties of [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine?
[2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine has a molecular weight of 226.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3,3-dimethyl-1-(1-methylpyrazol-3-yl)butyl]hydrazine is sourced from PubChem (CID 103140646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).