2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile

C10H16N2O — CID 80720323

IUPAC2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile
SMILESCC(C#N)CNC1CC2CCC1O2
InChIInChI=1S/C10H16N2O/c1-7(5-11)6-12-9-4-8-2-3-10(9)13-8/h7-10,12H,2-4,6H2,1H3
InChIKeyAEAMJZISWNYMKM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile

2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile (PubChem CID 80720323) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile
PubChem CID80720323
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile
SMILESCC(C#N)CNC1CC2CCC1O2
InChIInChI=1S/C10H16N2O/c1-7(5-11)6-12-9-4-8-2-3-10(9)13-8/h7-10,12H,2-4,6H2,1H3
InChIKeyAEAMJZISWNYMKM-UHFFFAOYSA-N
XLogP1.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile (CID 80720323) is 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile is CC(C#N)CNC1CC2CCC1O2.
What is the InChIKey of 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile?
The InChIKey is AEAMJZISWNYMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(5-11)6-12-9-4-8-2-3-10(9)13-8/h7-10,12H,2-4,6H2,1H3.
What are the key properties of 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile?
2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile is sourced from PubChem (CID 80720323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).