4-methoxy-4-propylcyclohexane-1-carbohydrazide

C11H22N2O2 — CID 154638566

IUPAC4-methoxy-4-propylcyclohexane-1-carbohydrazide
SMILESCCCC1(OC)CCC(C(=O)NN)CC1
InChIInChI=1S/C11H22N2O2/c1-3-6-11(15-2)7-4-9(5-8-11)10(14)13-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyCBCQUBXBXATYEP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.35
Rot. Bonds4

About 4-methoxy-4-propylcyclohexane-1-carbohydrazide

4-methoxy-4-propylcyclohexane-1-carbohydrazide (PubChem CID 154638566) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methoxy-4-propylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-methoxy-4-propylcyclohexane-1-carbohydrazide
PubChem CID154638566
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-methoxy-4-propylcyclohexane-1-carbohydrazide
SMILESCCCC1(OC)CCC(C(=O)NN)CC1
InChIInChI=1S/C11H22N2O2/c1-3-6-11(15-2)7-4-9(5-8-11)10(14)13-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyCBCQUBXBXATYEP-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 4-methoxy-4-propylcyclohexane-1-carbohydrazide?
The IUPAC name of 4-methoxy-4-propylcyclohexane-1-carbohydrazide (CID 154638566) is 4-methoxy-4-propylcyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-methoxy-4-propylcyclohexane-1-carbohydrazide?
The canonical SMILES for 4-methoxy-4-propylcyclohexane-1-carbohydrazide is CCCC1(OC)CCC(C(=O)NN)CC1.
What is the InChIKey of 4-methoxy-4-propylcyclohexane-1-carbohydrazide?
The InChIKey is CBCQUBXBXATYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-11(15-2)7-4-9(5-8-11)10(14)13-12/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-4-propylcyclohexane-1-carbohydrazide?
4-methoxy-4-propylcyclohexane-1-carbohydrazide has a molecular weight of 214.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-propylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 154638566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).