2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen

C15H32N2 — CID 142227431

IUPAC2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen
SMILESCC.N#CC(N)CCCC1CCCCCCC1.[H][H]
InChIInChI=1S/C13H24N2.C2H6.H2/c14-11-13(15)10-6-9-12-7-4-2-1-3-5-8-12;1-2;/h12-13H,1-10,15H2;1-2H3;1H
InChIKeyDJKKGIOOWUDVQR-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.64
Rot. Bonds4

About 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen

2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen (PubChem CID 142227431) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen
PubChem CID142227431
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen
SMILESCC.N#CC(N)CCCC1CCCCCCC1.[H][H]
InChIInChI=1S/C13H24N2.C2H6.H2/c14-11-13(15)10-6-9-12-7-4-2-1-3-5-8-12;1-2;/h12-13H,1-10,15H2;1-2H3;1H
InChIKeyDJKKGIOOWUDVQR-UHFFFAOYSA-N
XLogP4.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen?
The IUPAC name of 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen (CID 142227431) is 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen.
What is the SMILES notation for 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen?
The canonical SMILES for 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen is CC.N#CC(N)CCCC1CCCCCCC1.[H][H].
What is the InChIKey of 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen?
The InChIKey is DJKKGIOOWUDVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.C2H6.H2/c14-11-13(15)10-6-9-12-7-4-2-1-3-5-8-12;1-2;/h12-13H,1-10,15H2;1-2H3;1H.
What are the key properties of 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen?
2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen has a molecular weight of 240.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen is sourced from PubChem (CID 142227431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).