N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide

C12H23N5 — CID 83036777

IUPACN-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H23N5/c13-10(14)16-11(15)17-8-6-12(7-9-17)4-2-1-3-5-12/h1-9H2,(H5,13,14,15,16)
InChIKeyZEEGTLSGXMBBJA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.24
Rot. Bonds

About N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide

N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide (PubChem CID 83036777) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide
PubChem CID83036777
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H23N5/c13-10(14)16-11(15)17-8-6-12(7-9-17)4-2-1-3-5-12/h1-9H2,(H5,13,14,15,16)
InChIKeyZEEGTLSGXMBBJA-UHFFFAOYSA-N
XLogP1.24
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
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-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide (CID 83036777) is N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide?
The InChIKey is ZEEGTLSGXMBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c13-10(14)16-11(15)17-8-6-12(7-9-17)4-2-1-3-5-12/h1-9H2,(H5,13,14,15,16).
What are the key properties of N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide?
N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide has a molecular weight of 237.35 g/mol, XLogP of 1.24, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-azaspiro[5.5]undecane-3-carboximidamide is sourced from PubChem (CID 83036777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).