8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile

C12H21N3 — CID 164922004

IUPAC8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile
SMILESCC(C)N1CCC2(CCCN2C#N)CC1
InChIInChI=1S/C12H21N3/c1-11(2)14-8-5-12(6-9-14)4-3-7-15(12)10-13/h11H,3-9H2,1-2H3
InChIKeyMFYZWIAEBSASLN-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.81
Rot. Bonds1

About 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile

8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile (PubChem CID 164922004) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile.

Molecular Properties

Compound Name8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile
PubChem CID164922004
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile
SMILESCC(C)N1CCC2(CCCN2C#N)CC1
InChIInChI=1S/C12H21N3/c1-11(2)14-8-5-12(6-9-14)4-3-7-15(12)10-13/h11H,3-9H2,1-2H3
InChIKeyMFYZWIAEBSASLN-UHFFFAOYSA-N
XLogP1.81
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
CID 164922080
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
ethane;4-propan-2-yl-4-azaspiro[2.4]heptane
CID 170635118
ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 154672647
ethane;1-propan-2-ylpyrrolidine
CID 167557798
2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 131609024
1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79514056
8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene
CID 162769943

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile?
The IUPAC name of 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile (CID 164922004) is 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile.
What is the SMILES notation for 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile?
The canonical SMILES for 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile is CC(C)N1CCC2(CCCN2C#N)CC1.
What is the InChIKey of 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile?
The InChIKey is MFYZWIAEBSASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)14-8-5-12(6-9-14)4-3-7-15(12)10-13/h11H,3-9H2,1-2H3.
What are the key properties of 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile?
8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile is sourced from PubChem (CID 164922004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).