2-methanidyl-2-azoniaspiro[4.4]nonane

C9H17N — CID 166016884

IUPAC2-methanidyl-2-azoniaspiro[4.4]nonane
SMILES[CH2-][NH+]1CCC2(CCCC2)C1
InChIInChI=1S/C9H17N/c1-10-7-6-9(8-10)4-2-3-5-9/h10H,1-8H2
InChIKeyKDDNEWYAKYWOFD-UHFFFAOYSA-N
MW139.24 g/mol
LogP0.63
Rot. Bonds

About 2-methanidyl-2-azoniaspiro[4.4]nonane

2-methanidyl-2-azoniaspiro[4.4]nonane (PubChem CID 166016884) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methanidyl-2-azoniaspiro[4.4]nonane.

Molecular Properties

Compound Name2-methanidyl-2-azoniaspiro[4.4]nonane
PubChem CID166016884
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methanidyl-2-azoniaspiro[4.4]nonane
SMILES[CH2-][NH+]1CCC2(CCCC2)C1
InChIInChI=1S/C9H17N/c1-10-7-6-9(8-10)4-2-3-5-9/h10H,1-8H2
InChIKeyKDDNEWYAKYWOFD-UHFFFAOYSA-N
XLogP0.63
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

dispiro[2.1.45.23]undecane
CID 123654868
spiro[4.4]nonane
CID 90780660
tricyclo[3.2.2.11,5]decane
CID 11355506
spiro[4.4]nonane;dihydrochloride
CID 172764572
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
12-azadispiro[3.1.46.34]tridecane
CID 130118799
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
spiro[2.7]decane
CID 12657449
2-prop-2-ynyl-2-azoniaspiro[5.5]undecane chloride
CID 44655015
dispiro[5.1.78.26]heptadecane;isocyanic acid
CID 87872194
8-methanidyl-1,4-dioxa-8-azoniaspiro[4.5]decane
CID 20723397

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-2-azoniaspiro[4.4]nonane?
The IUPAC name of 2-methanidyl-2-azoniaspiro[4.4]nonane (CID 166016884) is 2-methanidyl-2-azoniaspiro[4.4]nonane.
What is the SMILES notation for 2-methanidyl-2-azoniaspiro[4.4]nonane?
The canonical SMILES for 2-methanidyl-2-azoniaspiro[4.4]nonane is [CH2-][NH+]1CCC2(CCCC2)C1.
What is the InChIKey of 2-methanidyl-2-azoniaspiro[4.4]nonane?
The InChIKey is KDDNEWYAKYWOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-7-6-9(8-10)4-2-3-5-9/h10H,1-8H2.
What are the key properties of 2-methanidyl-2-azoniaspiro[4.4]nonane?
2-methanidyl-2-azoniaspiro[4.4]nonane has a molecular weight of 139.24 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-2-azoniaspiro[4.4]nonane is sourced from PubChem (CID 166016884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).