2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile

C13H24N2O — CID 61006168

IUPAC2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)NCC1CCCO1
InChIInChI=1S/C13H24N2O/c1-3-7-13(11-14,8-4-2)15-10-12-6-5-9-16-12/h12,15H,3-10H2,1-2H3
InChIKeyDIXKIFXJCLFVDJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.62
Rot. Bonds7

About 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile

2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile (PubChem CID 61006168) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile
PubChem CID61006168
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)NCC1CCCO1
InChIInChI=1S/C13H24N2O/c1-3-7-13(11-14,8-4-2)15-10-12-6-5-9-16-12/h12,15H,3-10H2,1-2H3
InChIKeyDIXKIFXJCLFVDJ-UHFFFAOYSA-N
XLogP2.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile (CID 61006168) is 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile is CCCC(C#N)(CCC)NCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile?
The InChIKey is DIXKIFXJCLFVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-7-13(11-14,8-4-2)15-10-12-6-5-9-16-12/h12,15H,3-10H2,1-2H3.
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile?
2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-propylpentanenitrile is sourced from PubChem (CID 61006168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).