4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile

C10H16N2O2 — CID 82399553

IUPAC4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile
SMILESN#CC1(N)CCOC2(CCOCC2)C1
InChIInChI=1S/C10H16N2O2/c11-8-9(12)1-6-14-10(7-9)2-4-13-5-3-10/h1-7,12H2
InChIKeyHZSLFWSSSZJBLJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.57
Rot. Bonds

About 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile

4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile (PubChem CID 82399553) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile
PubChem CID82399553
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile
SMILESN#CC1(N)CCOC2(CCOCC2)C1
InChIInChI=1S/C10H16N2O2/c11-8-9(12)1-6-14-10(7-9)2-4-13-5-3-10/h1-7,12H2
InChIKeyHZSLFWSSSZJBLJ-UHFFFAOYSA-N
XLogP0.57
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-aminooxolane-3-carbonitrile;hydrochloride
CID 54595595
4,7-dioxaspiro[2.6]nonane
CID 118210447
1,9-dioxaspiro[5.5]undecane-4-carbonitrile
CID 79903637
2-(4-aminooxan-4-yl)acetonitrile;hydrochloride
CID 172915698
2-aminospiro[3.3]heptane-2-carbonitrile
CID 131553755
3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile
CID 114277383
4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
CID 79130852
4-(chloromethyl)oxane-4-carbonitrile
CID 130559171
4-(aminooxymethyl)oxane-4-carbonitrile
CID 167072211
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
3-isocyanatooxolane-3-carbonitrile
CID 82885221

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile?
The IUPAC name of 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile (CID 82399553) is 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile.
What is the SMILES notation for 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile?
The canonical SMILES for 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile is N#CC1(N)CCOC2(CCOCC2)C1.
What is the InChIKey of 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile?
The InChIKey is HZSLFWSSSZJBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-8-9(12)1-6-14-10(7-9)2-4-13-5-3-10/h1-7,12H2.
What are the key properties of 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile?
4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile is sourced from PubChem (CID 82399553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).