4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide

C11H21N3O — CID 121202837

IUPAC4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILES[H]/N=C(\N)N1CC(COC)C2(CCCC2)C1
InChIInChI=1S/C11H21N3O/c1-15-7-9-6-14(10(12)13)8-11(9)4-2-3-5-11/h9H,2-8H2,1H3,(H3,12,13)
InChIKeyPFSWRDBTVBGEBZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.02
Rot. Bonds2

About 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide

4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 121202837) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID121202837
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILES[H]/N=C(\N)N1CC(COC)C2(CCCC2)C1
InChIInChI=1S/C11H21N3O/c1-15-7-9-6-14(10(12)13)8-11(9)4-2-3-5-11/h9H,2-8H2,1H3,(H3,12,13)
InChIKeyPFSWRDBTVBGEBZ-UHFFFAOYSA-N
XLogP1.02
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide (CID 121202837) is 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide is [H]/N=C(\N)N1CC(COC)C2(CCCC2)C1.
What is the InChIKey of 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is PFSWRDBTVBGEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-15-7-9-6-14(10(12)13)8-11(9)4-2-3-5-11/h9H,2-8H2,1H3,(H3,12,13).
What are the key properties of 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 121202837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).