4-imino-8-azaspiro[4.5]decane-1-carbonitrile

C10H15N3 — CID 18403960

IUPAC4-imino-8-azaspiro[4.5]decane-1-carbonitrile
SMILES[H]/N=C1\CCC(C#N)C12CCNCC2
InChIInChI=1S/C10H15N3/c11-7-8-1-2-9(12)10(8)3-5-13-6-4-10/h8,12-13H,1-6H2/b12-9+
InChIKeyPBBLOWATMGPVBB-FMIVXFBMSA-N
MW177.25 g/mol
LogP1.31
Rot. Bonds

About 4-imino-8-azaspiro[4.5]decane-1-carbonitrile

4-imino-8-azaspiro[4.5]decane-1-carbonitrile (PubChem CID 18403960) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-imino-8-azaspiro[4.5]decane-1-carbonitrile.

Molecular Properties

Compound Name4-imino-8-azaspiro[4.5]decane-1-carbonitrile
PubChem CID18403960
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-imino-8-azaspiro[4.5]decane-1-carbonitrile
SMILES[H]/N=C1\CCC(C#N)C12CCNCC2
InChIInChI=1S/C10H15N3/c11-7-8-1-2-9(12)10(8)3-5-13-6-4-10/h8,12-13H,1-6H2/b12-9+
InChIKeyPBBLOWATMGPVBB-FMIVXFBMSA-N
XLogP1.31
TPSA59.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-8-azaspiro[4.5]decane-1-carbonitrile?
The IUPAC name of 4-imino-8-azaspiro[4.5]decane-1-carbonitrile (CID 18403960) is 4-imino-8-azaspiro[4.5]decane-1-carbonitrile.
What is the SMILES notation for 4-imino-8-azaspiro[4.5]decane-1-carbonitrile?
The canonical SMILES for 4-imino-8-azaspiro[4.5]decane-1-carbonitrile is [H]/N=C1\CCC(C#N)C12CCNCC2.
What is the InChIKey of 4-imino-8-azaspiro[4.5]decane-1-carbonitrile?
The InChIKey is PBBLOWATMGPVBB-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H15N3/c11-7-8-1-2-9(12)10(8)3-5-13-6-4-10/h8,12-13H,1-6H2/b12-9+.
What are the key properties of 4-imino-8-azaspiro[4.5]decane-1-carbonitrile?
4-imino-8-azaspiro[4.5]decane-1-carbonitrile has a molecular weight of 177.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-8-azaspiro[4.5]decane-1-carbonitrile is sourced from PubChem (CID 18403960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).