[1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine

C13H28N2O — CID 105270795

IUPAC[1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine
SMILESCCC(OC)C(NN)C1CC(C)CC(C)C1
InChIInChI=1S/C13H28N2O/c1-5-12(16-4)13(15-14)11-7-9(2)6-10(3)8-11/h9-13,15H,5-8,14H2,1-4H3
InChIKeyMQYHJARWUDEOMH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds5

About [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine

[1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine (PubChem CID 105270795) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine
PubChem CID105270795
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine
SMILESCCC(OC)C(NN)C1CC(C)CC(C)C1
InChIInChI=1S/C13H28N2O/c1-5-12(16-4)13(15-14)11-7-9(2)6-10(3)8-11/h9-13,15H,5-8,14H2,1-4H3
InChIKeyMQYHJARWUDEOMH-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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 [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine?
The IUPAC name of [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine (CID 105270795) is [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine?
The canonical SMILES for [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine is CCC(OC)C(NN)C1CC(C)CC(C)C1.
What is the InChIKey of [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine?
The InChIKey is MQYHJARWUDEOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12(16-4)13(15-14)11-7-9(2)6-10(3)8-11/h9-13,15H,5-8,14H2,1-4H3.
What are the key properties of [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine?
[1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine has a molecular weight of 228.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine is sourced from PubChem (CID 105270795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).