4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile

C11H19N3 — CID 130525832

IUPAC4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile
SMILESN#CCCCN1CCC2(CCNC2)C1
InChIInChI=1S/C11H19N3/c12-5-1-2-7-14-8-4-11(10-14)3-6-13-9-11/h13H,1-4,6-10H2
InChIKeyYVLNBLCJXVASPZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.98
Rot. Bonds3

About 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile

4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile (PubChem CID 130525832) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile.

Molecular Properties

Compound Name4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile
PubChem CID130525832
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile
SMILESN#CCCCN1CCC2(CCNC2)C1
InChIInChI=1S/C11H19N3/c12-5-1-2-7-14-8-4-11(10-14)3-6-13-9-11/h13H,1-4,6-10H2
InChIKeyYVLNBLCJXVASPZ-UHFFFAOYSA-N
XLogP0.98
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 128922534
2-(2-methylsulfanylethyl)-2,7-diazaspiro[4.4]nonane
CID 130525850
2-[2-(2-methoxyethoxy)ethyl]-2,7-diazaspiro[4.4]nonane
CID 82038602
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane
CID 82038702
4-(2-azaspiro[3.3]heptan-2-yl)butanenitrile
CID 79686982
8-butyl-2,8-diazaspiro[4.5]decane
CID 83699136
4-(3-fluoro-3-methylpyrrolidin-1-yl)butanenitrile
CID 131065294
2-(2,9-diazaspiro[4.5]decan-2-yl)ethanamine
CID 130608102
1-(2,7-diazaspiro[4.4]nonan-2-yl)butan-2-ol
CID 130525842
2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane
CID 130525863
2-(2,2-diethylbutyl)-2,7-diazaspiro[4.4]nonane
CID 120907644

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile?
The IUPAC name of 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile (CID 130525832) is 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile.
What is the SMILES notation for 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile?
The canonical SMILES for 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile is N#CCCCN1CCC2(CCNC2)C1.
What is the InChIKey of 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile?
The InChIKey is YVLNBLCJXVASPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-5-1-2-7-14-8-4-11(10-14)3-6-13-9-11/h13H,1-4,6-10H2.
What are the key properties of 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile?
4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile has a molecular weight of 193.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[4.4]nonan-2-yl)butanenitrile is sourced from PubChem (CID 130525832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).