3-azaspiro[5.5]undecane-3-carboximidamide;ethane

C13H27N3 — CID 143960254

IUPAC3-azaspiro[5.5]undecane-3-carboximidamide;ethane
SMILESCC.[H]/N=C(\N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H21N3.C2H6/c12-10(13)14-8-6-11(7-9-14)4-2-1-3-5-11;1-2/h1-9H2,(H3,12,13);1-2H3
InChIKeyMXWVKDMSQLIJSB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.95
Rot. Bonds

About 3-azaspiro[5.5]undecane-3-carboximidamide;ethane

3-azaspiro[5.5]undecane-3-carboximidamide;ethane (PubChem CID 143960254) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecane-3-carboximidamide;ethane.

Molecular Properties

Compound Name3-azaspiro[5.5]undecane-3-carboximidamide;ethane
PubChem CID143960254
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-azaspiro[5.5]undecane-3-carboximidamide;ethane
SMILESCC.[H]/N=C(\N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H21N3.C2H6/c12-10(13)14-8-6-11(7-9-14)4-2-1-3-5-11;1-2/h1-9H2,(H3,12,13);1-2H3
InChIKeyMXWVKDMSQLIJSB-UHFFFAOYSA-N
XLogP2.95
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.95
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-azaspiro[5.5]undecane-3-carboximidamide;ethane?
The IUPAC name of 3-azaspiro[5.5]undecane-3-carboximidamide;ethane (CID 143960254) is 3-azaspiro[5.5]undecane-3-carboximidamide;ethane.
What is the SMILES notation for 3-azaspiro[5.5]undecane-3-carboximidamide;ethane?
The canonical SMILES for 3-azaspiro[5.5]undecane-3-carboximidamide;ethane is CC.[H]/N=C(\N)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecane-3-carboximidamide;ethane?
The InChIKey is MXWVKDMSQLIJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.C2H6/c12-10(13)14-8-6-11(7-9-14)4-2-1-3-5-11;1-2/h1-9H2,(H3,12,13);1-2H3.
What are the key properties of 3-azaspiro[5.5]undecane-3-carboximidamide;ethane?
3-azaspiro[5.5]undecane-3-carboximidamide;ethane has a molecular weight of 225.38 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecane-3-carboximidamide;ethane is sourced from PubChem (CID 143960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).