[3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine

C13H28N2O — CID 103025342

IUPAC[3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine
SMILESCOC(C)(C)CC(NN)C1CCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-10-5-7-11(8-6-10)12(15-14)9-13(2,3)16-4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyNQORILIAYYOJKN-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.46
Rot. Bonds5

About [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine

[3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine (PubChem CID 103025342) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine.

Molecular Properties

Compound Name[3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine
PubChem CID103025342
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine
SMILESCOC(C)(C)CC(NN)C1CCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-10-5-7-11(8-6-10)12(15-14)9-13(2,3)16-4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyNQORILIAYYOJKN-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine?
The IUPAC name of [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine (CID 103025342) is [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine.
What is the SMILES notation for [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine?
The canonical SMILES for [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine is COC(C)(C)CC(NN)C1CCC(C)CC1.
What is the InChIKey of [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine?
The InChIKey is NQORILIAYYOJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10-5-7-11(8-6-10)12(15-14)9-13(2,3)16-4/h10-12,15H,5-9,14H2,1-4H3.
What are the key properties of [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine?
[3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine has a molecular weight of 228.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-methyl-1-(4-methylcyclohexyl)butyl]hydrazine is sourced from PubChem (CID 103025342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).