6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide

C11H19N3O — CID 146518501

IUPAC6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide
SMILESCN(C)NC(=O)C1C=CC=CC(C)(N)C1
InChIInChI=1S/C11H19N3O/c1-11(12)7-5-4-6-9(8-11)10(15)13-14(2)3/h4-7,9H,8,12H2,1-3H3,(H,13,15)
InChIKeyAQASEMDJEQFESM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.43
Rot. Bonds2

About 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide

6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide (PubChem CID 146518501) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide.

Molecular Properties

Compound Name6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide
PubChem CID146518501
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide
SMILESCN(C)NC(=O)C1C=CC=CC(C)(N)C1
InChIInChI=1S/C11H19N3O/c1-11(12)7-5-4-6-9(8-11)10(15)13-14(2)3/h4-7,9H,8,12H2,1-3H3,(H,13,15)
InChIKeyAQASEMDJEQFESM-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide?
The IUPAC name of 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide (CID 146518501) is 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide.
What is the SMILES notation for 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide?
The canonical SMILES for 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide is CN(C)NC(=O)C1C=CC=CC(C)(N)C1.
What is the InChIKey of 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide?
The InChIKey is AQASEMDJEQFESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(12)7-5-4-6-9(8-11)10(15)13-14(2)3/h4-7,9H,8,12H2,1-3H3,(H,13,15).
What are the key properties of 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide?
6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide has a molecular weight of 209.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N',N',6-trimethylcyclohepta-2,4-diene-1-carbohydrazide is sourced from PubChem (CID 146518501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).