2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile

C13H19N3O — CID 71854535

IUPAC2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile
SMILESN#CCCC(C#N)CN1CCC2(CCOC2)C1
InChIInChI=1S/C13H19N3O/c14-5-1-2-12(8-15)9-16-6-3-13(10-16)4-7-17-11-13/h12H,1-4,6-7,9-11H2
InChIKeyNSBJLKMBKBJQGB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.54
Rot. Bonds4

About 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile

2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile (PubChem CID 71854535) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile.

Molecular Properties

Compound Name2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile
PubChem CID71854535
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile
SMILESN#CCCC(C#N)CN1CCC2(CCOC2)C1
InChIInChI=1S/C13H19N3O/c14-5-1-2-12(8-15)9-16-6-3-13(10-16)4-7-17-11-13/h12H,1-4,6-7,9-11H2
InChIKeyNSBJLKMBKBJQGB-UHFFFAOYSA-N
XLogP1.54
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile 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

(5R)-7-ethyl-2-oxa-7-azaspiro[4.4]nonane
CID 142524383
ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
CID 171515874
7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane
CID 131234481
7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
CID 170384724
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643
(2S)-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pentanedinitrile
CID 32527833
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
CID 124874694
ethyl 1-[(2R)-2,4-dicyanobutyl]-4-phenylpiperidine-4-carboxylate
CID 97215021
ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane
CID 144770357
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433
(2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile
CID 97022640

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile?
The IUPAC name of 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile (CID 71854535) is 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile.
What is the SMILES notation for 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile?
The canonical SMILES for 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile is N#CCCC(C#N)CN1CCC2(CCOC2)C1.
What is the InChIKey of 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile?
The InChIKey is NSBJLKMBKBJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-5-1-2-12(8-15)9-16-6-3-13(10-16)4-7-17-11-13/h12H,1-4,6-7,9-11H2.
What are the key properties of 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile?
2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile has a molecular weight of 233.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile is sourced from PubChem (CID 71854535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).