O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine

C9H14N2O — CID 145013565

IUPACO-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine
SMILESCC1(C)C=CC(N)=C(ON)C=C1
InChIInChI=1S/C9H14N2O/c1-9(2)5-3-7(10)8(12-11)4-6-9/h3-6H,10-11H2,1-2H3
InChIKeyREVUKDVWTCPZLM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.20
Rot. Bonds1

About O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine

O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine (PubChem CID 145013565) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine.

Molecular Properties

Compound NameO-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine
PubChem CID145013565
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameO-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine
SMILESCC1(C)C=CC(N)=C(ON)C=C1
InChIInChI=1S/C9H14N2O/c1-9(2)5-3-7(10)8(12-11)4-6-9/h3-6H,10-11H2,1-2H3
InChIKeyREVUKDVWTCPZLM-UHFFFAOYSA-N
XLogP1.20
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.20
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 O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine?
The IUPAC name of O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine (CID 145013565) is O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine.
What is the SMILES notation for O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine?
The canonical SMILES for O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine is CC1(C)C=CC(N)=C(ON)C=C1.
What is the InChIKey of O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine?
The InChIKey is REVUKDVWTCPZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2)5-3-7(10)8(12-11)4-6-9/h3-6H,10-11H2,1-2H3.
What are the key properties of O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine?
O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine has a molecular weight of 166.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)hydroxylamine is sourced from PubChem (CID 145013565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).