N-amino-N'-cycloheptyloxolane-2-carboximidamide

C12H23N3O — CID 61363306

IUPACN-amino-N'-cycloheptyloxolane-2-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)C1CCCO1
InChIInChI=1S/C12H23N3O/c13-15-12(11-8-5-9-16-11)14-10-6-3-1-2-4-7-10/h10-11H,1-9,13H2,(H,14,15)
InChIKeyGMPWKNYRJGLZQM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.75
Rot. Bonds2

About N-amino-N'-cycloheptyloxolane-2-carboximidamide

N-amino-N'-cycloheptyloxolane-2-carboximidamide (PubChem CID 61363306) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-amino-N'-cycloheptyloxolane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyloxolane-2-carboximidamide
PubChem CID61363306
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-amino-N'-cycloheptyloxolane-2-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)C1CCCO1
InChIInChI=1S/C12H23N3O/c13-15-12(11-8-5-9-16-11)14-10-6-3-1-2-4-7-10/h10-11H,1-9,13H2,(H,14,15)
InChIKeyGMPWKNYRJGLZQM-UHFFFAOYSA-N
XLogP1.75
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-N'-cycloheptyloxolane-2-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptyloxolane-2-carboximidamide (CID 61363306) is N-amino-N'-cycloheptyloxolane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyloxolane-2-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyloxolane-2-carboximidamide is NN/C(=N\C1CCCCCC1)C1CCCO1.
What is the InChIKey of N-amino-N'-cycloheptyloxolane-2-carboximidamide?
The InChIKey is GMPWKNYRJGLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-15-12(11-8-5-9-16-11)14-10-6-3-1-2-4-7-10/h10-11H,1-9,13H2,(H,14,15).
What are the key properties of N-amino-N'-cycloheptyloxolane-2-carboximidamide?
N-amino-N'-cycloheptyloxolane-2-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyloxolane-2-carboximidamide is sourced from PubChem (CID 61363306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).