N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide

C15H27N3 — CID 111733119

IUPACN'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCC/N=C(/NC1CC1C)N1CCC2(CCCC2)C1
InChIInChI=1S/C15H27N3/c1-3-16-14(17-13-10-12(13)2)18-9-8-15(11-18)6-4-5-7-15/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyBCZZLXIBFLSVCM-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.63
Rot. Bonds2

About N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide

N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733119) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733119
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCC/N=C(/NC1CC1C)N1CCC2(CCCC2)C1
InChIInChI=1S/C15H27N3/c1-3-16-14(17-13-10-12(13)2)18-9-8-15(11-18)6-4-5-7-15/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyBCZZLXIBFLSVCM-UHFFFAOYSA-N
XLogP2.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.63
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'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733119) is N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide is CC/N=C(/NC1CC1C)N1CCC2(CCCC2)C1.
What is the InChIKey of N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is BCZZLXIBFLSVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-16-14(17-13-10-12(13)2)18-9-8-15(11-18)6-4-5-7-15/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 249.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylcyclopropyl)-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).