4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile

C13H24N2O2 — CID 54887287

IUPAC4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
SMILESCOC(C)(C)CC(C)(C#N)NCC1CCCO1
InChIInChI=1S/C13H24N2O2/c1-12(2,16-4)9-13(3,10-14)15-8-11-6-5-7-17-11/h11,15H,5-9H2,1-4H3
InChIKeyRJIVTXORBSPKBZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.85
Rot. Bonds6

About 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile

4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile (PubChem CID 54887287) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
PubChem CID54887287
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
SMILESCOC(C)(C)CC(C)(C#N)NCC1CCCO1
InChIInChI=1S/C13H24N2O2/c1-12(2,16-4)9-13(3,10-14)15-8-11-6-5-7-17-11/h11,15H,5-9H2,1-4H3
InChIKeyRJIVTXORBSPKBZ-UHFFFAOYSA-N
XLogP1.85
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile (CID 54887287) is 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile is COC(C)(C)CC(C)(C#N)NCC1CCCO1.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The InChIKey is RJIVTXORBSPKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,16-4)9-13(3,10-14)15-8-11-6-5-7-17-11/h11,15H,5-9H2,1-4H3.
What are the key properties of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile has a molecular weight of 240.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile is sourced from PubChem (CID 54887287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).