N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide

C14H26N2O2 — CID 99817513

IUPACN'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-12(2,3)8-9(17)15-16-11(18)10-13(4,5)14(10,6)7/h10H,8H2,1-7H3,(H,15,17)(H,16,18)
InChIKeyNYXUBLMOJBCHGR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.25
Rot. Bonds2

About N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide

N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide (PubChem CID 99817513) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide
PubChem CID99817513
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-12(2,3)8-9(17)15-16-11(18)10-13(4,5)14(10,6)7/h10H,8H2,1-7H3,(H,15,17)(H,16,18)
InChIKeyNYXUBLMOJBCHGR-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide?
The IUPAC name of N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide (CID 99817513) is N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide?
The canonical SMILES for N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide is CC(C)(C)CC(=O)NNC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide?
The InChIKey is NYXUBLMOJBCHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2,3)8-9(17)15-16-11(18)10-13(4,5)14(10,6)7/h10H,8H2,1-7H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide?
N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide has a molecular weight of 254.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutanoyl)-2,2,3,3-tetramethylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 99817513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).