N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide

C15H29N3 — CID 55156903

IUPACN'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H29N3/c1-13(2)12-17-14(16)18-10-8-15(9-11-18)6-4-3-5-7-15/h13H,3-12H2,1-2H3,(H2,16,17)
InChIKeyVKPGMNHAAYILMD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.00
Rot. Bonds2

About N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide

N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide (PubChem CID 55156903) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide
PubChem CID55156903
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H29N3/c1-13(2)12-17-14(16)18-10-8-15(9-11-18)6-4-3-5-7-15/h13H,3-12H2,1-2H3,(H2,16,17)
InChIKeyVKPGMNHAAYILMD-UHFFFAOYSA-N
XLogP3.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide (CID 55156903) is N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide is CC(C)C/N=C(\N)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide?
The InChIKey is VKPGMNHAAYILMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13(2)12-17-14(16)18-10-8-15(9-11-18)6-4-3-5-7-15/h13H,3-12H2,1-2H3,(H2,16,17).
What are the key properties of N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide?
N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide has a molecular weight of 251.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-3-azaspiro[5.5]undecane-3-carboximidamide is sourced from PubChem (CID 55156903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).