4-aminooxane-3-carbonitrile

C6H10N2O — CID 105427274

IUPAC4-aminooxane-3-carbonitrile
SMILESN#CC1COCCC1N
InChIInChI=1S/C6H10N2O/c7-3-5-4-9-2-1-6(5)8/h5-6H,1-2,4,8H2
InChIKeyDTBGPVYZWBKIGF-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.13
Rot. Bonds

About 4-aminooxane-3-carbonitrile

4-aminooxane-3-carbonitrile (PubChem CID 105427274) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-aminooxane-3-carbonitrile.

Molecular Properties

Compound Name4-aminooxane-3-carbonitrile
PubChem CID105427274
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-aminooxane-3-carbonitrile
SMILESN#CC1COCCC1N
InChIInChI=1S/C6H10N2O/c7-3-5-4-9-2-1-6(5)8/h5-6H,1-2,4,8H2
InChIKeyDTBGPVYZWBKIGF-UHFFFAOYSA-N
XLogP-0.13
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminooxane-3-carbonitrile?
The IUPAC name of 4-aminooxane-3-carbonitrile (CID 105427274) is 4-aminooxane-3-carbonitrile.
What is the SMILES notation for 4-aminooxane-3-carbonitrile?
The canonical SMILES for 4-aminooxane-3-carbonitrile is N#CC1COCCC1N.
What is the InChIKey of 4-aminooxane-3-carbonitrile?
The InChIKey is DTBGPVYZWBKIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-3-5-4-9-2-1-6(5)8/h5-6H,1-2,4,8H2.
What are the key properties of 4-aminooxane-3-carbonitrile?
4-aminooxane-3-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxane-3-carbonitrile is sourced from PubChem (CID 105427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).