ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen

C10H18N2 — CID 142309149

IUPACethane;2-methyl-1H-1,5-diazonine;molecular hydrogen
SMILESCC.Cc1ccncccc[nH]1.[H][H]
InChIInChI=1S/C8H10N2.C2H6.H2/c1-8-4-7-9-5-2-3-6-10-8;1-2;/h2-7,10H,1H3;1-2H3;1H/b5-2-,6-3-,8-4-,9-7-;;
InChIKeyPFTBLQNWAQXDHH-LALQTRPASA-N
MW166.27 g/mol
LogP3.11
Rot. Bonds

About ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen

ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen (PubChem CID 142309149) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-1H-1,5-diazonine;molecular hydrogen
PubChem CID142309149
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;2-methyl-1H-1,5-diazonine;molecular hydrogen
SMILESCC.Cc1ccncccc[nH]1.[H][H]
InChIInChI=1S/C8H10N2.C2H6.H2/c1-8-4-7-9-5-2-3-6-10-8;1-2;/h2-7,10H,1H3;1-2H3;1H/b5-2-,6-3-,8-4-,9-7-;;
InChIKeyPFTBLQNWAQXDHH-LALQTRPASA-N
XLogP3.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen?
The IUPAC name of ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen (CID 142309149) is ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen is CC.Cc1ccncccc[nH]1.[H][H].
What is the InChIKey of ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen?
The InChIKey is PFTBLQNWAQXDHH-LALQTRPASA-N. The full InChI is InChI=1S/C8H10N2.C2H6.H2/c1-8-4-7-9-5-2-3-6-10-8;1-2;/h2-7,10H,1H3;1-2H3;1H/b5-2-,6-3-,8-4-,9-7-;;.
What are the key properties of ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen?
ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen has a molecular weight of 166.27 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen is sourced from PubChem (CID 142309149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).