ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium

C9H23N — CID 157489182

IUPACethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium
SMILESC.CC.[CH2-][NH+]1CC[C@@H](C)C1
InChIInChI=1S/C6H13N.C2H6.CH4/c1-6-3-4-7(2)5-6;1-2;/h6-7H,2-5H2,1H3;1-2H3;1H4/t6-;;/m1../s1
InChIKeyBXBJYJKFVLYTDX-QYCVXMPOSA-N
MW145.29 g/mol
LogP1.36
Rot. Bonds

About ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium

ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium (PubChem CID 157489182) has the molecular formula C9H23N and a molecular weight of 145.29 g/mol. Its IUPAC name is ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium.

Molecular Properties

Compound Nameethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium
PubChem CID157489182
Molecular FormulaC9H23N
Molecular Weight145.29 g/mol
Exact Mass145.18
IUPAC Nameethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium
SMILESC.CC.[CH2-][NH+]1CC[C@@H](C)C1
InChIInChI=1S/C6H13N.C2H6.CH4/c1-6-3-4-7(2)5-6;1-2;/h6-7H,2-5H2,1H3;1-2H3;1H4/t6-;;/m1../s1
InChIKeyBXBJYJKFVLYTDX-QYCVXMPOSA-N
XLogP1.36
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium?
The IUPAC name of ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium (CID 157489182) is ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium.
What is the SMILES notation for ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium?
The canonical SMILES for ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium is C.CC.[CH2-][NH+]1CC[C@@H](C)C1.
What is the InChIKey of ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium?
The InChIKey is BXBJYJKFVLYTDX-QYCVXMPOSA-N. The full InChI is InChI=1S/C6H13N.C2H6.CH4/c1-6-3-4-7(2)5-6;1-2;/h6-7H,2-5H2,1H3;1-2H3;1H4/t6-;;/m1../s1.
What are the key properties of ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium?
ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium has a molecular weight of 145.29 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3R)-1-methanidyl-3-methylpyrrolidin-1-ium is sourced from PubChem (CID 157489182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).