4-(butan-2-ylamino)oxane-4-carbonitrile

C10H18N2O — CID 61023503

IUPAC4-(butan-2-ylamino)oxane-4-carbonitrile
SMILESCCC(C)NC1(C#N)CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-9(2)12-10(8-11)4-6-13-7-5-10/h9,12H,3-7H2,1-2H3
InChIKeyHZXFLJKWHBTGMH-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds3

About 4-(butan-2-ylamino)oxane-4-carbonitrile

4-(butan-2-ylamino)oxane-4-carbonitrile (PubChem CID 61023503) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(butan-2-ylamino)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(butan-2-ylamino)oxane-4-carbonitrile
PubChem CID61023503
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(butan-2-ylamino)oxane-4-carbonitrile
SMILESCCC(C)NC1(C#N)CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-9(2)12-10(8-11)4-6-13-7-5-10/h9,12H,3-7H2,1-2H3
InChIKeyHZXFLJKWHBTGMH-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)oxane-4-carbonitrile?
The IUPAC name of 4-(butan-2-ylamino)oxane-4-carbonitrile (CID 61023503) is 4-(butan-2-ylamino)oxane-4-carbonitrile.
What is the SMILES notation for 4-(butan-2-ylamino)oxane-4-carbonitrile?
The canonical SMILES for 4-(butan-2-ylamino)oxane-4-carbonitrile is CCC(C)NC1(C#N)CCOCC1.
What is the InChIKey of 4-(butan-2-ylamino)oxane-4-carbonitrile?
The InChIKey is HZXFLJKWHBTGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-9(2)12-10(8-11)4-6-13-7-5-10/h9,12H,3-7H2,1-2H3.
What are the key properties of 4-(butan-2-ylamino)oxane-4-carbonitrile?
4-(butan-2-ylamino)oxane-4-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)oxane-4-carbonitrile is sourced from PubChem (CID 61023503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).