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

C9H16N2O — CID 43608752

IUPAC4-(propan-2-ylamino)oxane-4-carbonitrile
SMILESCC(C)NC1(C#N)CCOCC1
InChIInChI=1S/C9H16N2O/c1-8(2)11-9(7-10)3-5-12-6-4-9/h8,11H,3-6H2,1-2H3
InChIKeyHWPLHMRWKBVTOL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.06
Rot. Bonds2

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

4-(propan-2-ylamino)oxane-4-carbonitrile (PubChem CID 43608752) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(propan-2-ylamino)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(propan-2-ylamino)oxane-4-carbonitrile
PubChem CID43608752
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(propan-2-ylamino)oxane-4-carbonitrile
SMILESCC(C)NC1(C#N)CCOCC1
InChIInChI=1S/C9H16N2O/c1-8(2)11-9(7-10)3-5-12-6-4-9/h8,11H,3-6H2,1-2H3
InChIKeyHWPLHMRWKBVTOL-UHFFFAOYSA-N
XLogP1.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)oxane-4-carbonitrile?
The IUPAC name of 4-(propan-2-ylamino)oxane-4-carbonitrile (CID 43608752) is 4-(propan-2-ylamino)oxane-4-carbonitrile.
What is the SMILES notation for 4-(propan-2-ylamino)oxane-4-carbonitrile?
The canonical SMILES for 4-(propan-2-ylamino)oxane-4-carbonitrile is CC(C)NC1(C#N)CCOCC1.
What is the InChIKey of 4-(propan-2-ylamino)oxane-4-carbonitrile?
The InChIKey is HWPLHMRWKBVTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)11-9(7-10)3-5-12-6-4-9/h8,11H,3-6H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)oxane-4-carbonitrile?
4-(propan-2-ylamino)oxane-4-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)oxane-4-carbonitrile is sourced from PubChem (CID 43608752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).