8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile

C10H17N3 — CID 143912852

IUPAC8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile
SMILESCC1CCC2(CN1)CNC(C#N)C2
InChIInChI=1S/C10H17N3/c1-8-2-3-10(6-12-8)4-9(5-11)13-7-10/h8-9,12-13H,2-4,6-7H2,1H3
InChIKeyQZALYYPXHMYVNQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.63
Rot. Bonds

About 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile

8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile (PubChem CID 143912852) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile
PubChem CID143912852
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile
SMILESCC1CCC2(CN1)CNC(C#N)C2
InChIInChI=1S/C10H17N3/c1-8-2-3-10(6-12-8)4-9(5-11)13-7-10/h8-9,12-13H,2-4,6-7H2,1H3
InChIKeyQZALYYPXHMYVNQ-UHFFFAOYSA-N
XLogP0.63
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile?
The IUPAC name of 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile (CID 143912852) is 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile.
What is the SMILES notation for 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile?
The canonical SMILES for 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile is CC1CCC2(CN1)CNC(C#N)C2.
What is the InChIKey of 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile?
The InChIKey is QZALYYPXHMYVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-2-3-10(6-12-8)4-9(5-11)13-7-10/h8-9,12-13H,2-4,6-7H2,1H3.
What are the key properties of 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile?
8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,9-diazaspiro[4.5]decane-3-carbonitrile is sourced from PubChem (CID 143912852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).