3-propan-2-yladamantane-1-carbohydrazide

C14H24N2O — CID 2802831

IUPAC3-propan-2-yladamantane-1-carbohydrazide
SMILESCC(C)C12CC3CC(CC(C(=O)NN)(C3)C1)C2
InChIInChI=1S/C14H24N2O/c1-9(2)13-4-10-3-11(5-13)7-14(6-10,8-13)12(17)16-15/h9-11H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyYRDJRMGJSXUGFL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.22
Rot. Bonds2

About 3-propan-2-yladamantane-1-carbohydrazide

3-propan-2-yladamantane-1-carbohydrazide (PubChem CID 2802831) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-propan-2-yladamantane-1-carbohydrazide.

Molecular Properties

Compound Name3-propan-2-yladamantane-1-carbohydrazide
PubChem CID2802831
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-propan-2-yladamantane-1-carbohydrazide
SMILESCC(C)C12CC3CC(CC(C(=O)NN)(C3)C1)C2
InChIInChI=1S/C14H24N2O/c1-9(2)13-4-10-3-11(5-13)7-14(6-10,8-13)12(17)16-15/h9-11H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyYRDJRMGJSXUGFL-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-propan-2-yladamantane-1-carbohydrazide?
The IUPAC name of 3-propan-2-yladamantane-1-carbohydrazide (CID 2802831) is 3-propan-2-yladamantane-1-carbohydrazide.
What is the SMILES notation for 3-propan-2-yladamantane-1-carbohydrazide?
The canonical SMILES for 3-propan-2-yladamantane-1-carbohydrazide is CC(C)C12CC3CC(CC(C(=O)NN)(C3)C1)C2.
What is the InChIKey of 3-propan-2-yladamantane-1-carbohydrazide?
The InChIKey is YRDJRMGJSXUGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)13-4-10-3-11(5-13)7-14(6-10,8-13)12(17)16-15/h9-11H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-propan-2-yladamantane-1-carbohydrazide?
3-propan-2-yladamantane-1-carbohydrazide has a molecular weight of 236.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yladamantane-1-carbohydrazide is sourced from PubChem (CID 2802831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).