N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide

C17H31N3 — CID 62931831

IUPACN'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H31N3/c18-16(19-15-7-3-1-4-8-15)20-13-11-17(12-14-20)9-5-2-6-10-17/h15H,1-14H2,(H2,18,19)
InChIKeyRPQBEHQYWQJOEC-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.68
Rot. Bonds1

About N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide

N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide (PubChem CID 62931831) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide
PubChem CID62931831
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H31N3/c18-16(19-15-7-3-1-4-8-15)20-13-11-17(12-14-20)9-5-2-6-10-17/h15H,1-14H2,(H2,18,19)
InChIKeyRPQBEHQYWQJOEC-UHFFFAOYSA-N
XLogP3.68
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.68
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'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The IUPAC name of N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide (CID 62931831) is N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide is N/C(=N\C1CCCCC1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The InChIKey is RPQBEHQYWQJOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c18-16(19-15-7-3-1-4-8-15)20-13-11-17(12-14-20)9-5-2-6-10-17/h15H,1-14H2,(H2,18,19).
What are the key properties of N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide?
N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide has a molecular weight of 277.46 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3-azaspiro[5.5]undecane-3-carboximidamide is sourced from PubChem (CID 62931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).