2-methyl-2-(oxan-4-ylmethylamino)propanenitrile

C10H18N2O — CID 115129369

IUPAC2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
SMILESCC(C)(C#N)NCC1CCOCC1
InChIInChI=1S/C10H18N2O/c1-10(2,8-11)12-7-9-3-5-13-6-4-9/h9,12H,3-7H2,1-2H3
InChIKeyJLPOWTVZXFBDLC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile

2-methyl-2-(oxan-4-ylmethylamino)propanenitrile (PubChem CID 115129369) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
PubChem CID115129369
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
SMILESCC(C)(C#N)NCC1CCOCC1
InChIInChI=1S/C10H18N2O/c1-10(2,8-11)12-7-9-3-5-13-6-4-9/h9,12H,3-7H2,1-2H3
InChIKeyJLPOWTVZXFBDLC-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile (CID 115129369) is 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile is CC(C)(C#N)NCC1CCOCC1.
What is the InChIKey of 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile?
The InChIKey is JLPOWTVZXFBDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,8-11)12-7-9-3-5-13-6-4-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile?
2-methyl-2-(oxan-4-ylmethylamino)propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylmethylamino)propanenitrile is sourced from PubChem (CID 115129369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).