7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile

C9H15N3 — CID 164922021

IUPAC7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
SMILESCN1CCC2(CC1)CCN2C#N
InChIInChI=1S/C9H15N3/c1-11-5-2-9(3-6-11)4-7-12(9)8-10/h2-7H2,1H3
InChIKeyDXHILVJSWHUXSY-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.64
Rot. Bonds

About 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile

7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile (PubChem CID 164922021) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile.

Molecular Properties

Compound Name7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
PubChem CID164922021
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
SMILESCN1CCC2(CC1)CCN2C#N
InChIInChI=1S/C9H15N3/c1-11-5-2-9(3-6-11)4-7-12(9)8-10/h2-7H2,1H3
InChIKeyDXHILVJSWHUXSY-UHFFFAOYSA-N
XLogP0.64
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
The IUPAC name of 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile (CID 164922021) is 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile.
What is the SMILES notation for 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
The canonical SMILES for 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile is CN1CCC2(CC1)CCN2C#N.
What is the InChIKey of 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
The InChIKey is DXHILVJSWHUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-11-5-2-9(3-6-11)4-7-12(9)8-10/h2-7H2,1H3.
What are the key properties of 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonitrile is sourced from PubChem (CID 164922021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).