3,5-dimethyladamantane-1-carboximidamide

C13H22N2 — CID 10176638

IUPAC3,5-dimethyladamantane-1-carboximidamide
SMILES[H]/N=C(\N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C13H22N2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H3,14,15)
InChIKeyQUHDZBPIJOPZCM-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds1

About 3,5-dimethyladamantane-1-carboximidamide

3,5-dimethyladamantane-1-carboximidamide (PubChem CID 10176638) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,5-dimethyladamantane-1-carboximidamide.

Molecular Properties

Compound Name3,5-dimethyladamantane-1-carboximidamide
PubChem CID10176638
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,5-dimethyladamantane-1-carboximidamide
SMILES[H]/N=C(\N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C13H22N2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H3,14,15)
InChIKeyQUHDZBPIJOPZCM-UHFFFAOYSA-N
XLogP2.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantane-1-carboximidamide?
The IUPAC name of 3,5-dimethyladamantane-1-carboximidamide (CID 10176638) is 3,5-dimethyladamantane-1-carboximidamide.
What is the SMILES notation for 3,5-dimethyladamantane-1-carboximidamide?
The canonical SMILES for 3,5-dimethyladamantane-1-carboximidamide is [H]/N=C(\N)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5-dimethyladamantane-1-carboximidamide?
The InChIKey is QUHDZBPIJOPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H3,14,15).
What are the key properties of 3,5-dimethyladamantane-1-carboximidamide?
3,5-dimethyladamantane-1-carboximidamide has a molecular weight of 206.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantane-1-carboximidamide is sourced from PubChem (CID 10176638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).