ethane;methane;methanediamine

C6H22N2 — CID 159003496

IUPACethane;methane;methanediamine
SMILESC.CC.CC.NCN
InChIInChI=1S/2C2H6.CH6N2.CH4/c2*1-2;2-1-3;/h2*1-2H3;1-3H2;1H4
InChIKeyJRQBKLUQSFBJQH-UHFFFAOYSA-N
MW122.26 g/mol
LogP1.55
Rot. Bonds

About ethane;methane;methanediamine

ethane;methane;methanediamine (PubChem CID 159003496) has the molecular formula C6H22N2 and a molecular weight of 122.26 g/mol. Its IUPAC name is ethane;methane;methanediamine.

Molecular Properties

Compound Nameethane;methane;methanediamine
PubChem CID159003496
Molecular FormulaC6H22N2
Molecular Weight122.26 g/mol
Exact Mass122.18
IUPAC Nameethane;methane;methanediamine
SMILESC.CC.CC.NCN
InChIInChI=1S/2C2H6.CH6N2.CH4/c2*1-2;2-1-3;/h2*1-2H3;1-3H2;1H4
InChIKeyJRQBKLUQSFBJQH-UHFFFAOYSA-N
XLogP1.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethane;methane;methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanamine;ethane
CID 142339743
methanediamine;propane
CID 157068020
ethanamine;ethane
CID 22406574
ethane;methane;2-methylpropan-1-amine
CID 164904154
azanide;carbanide;ethanamine;ethane;methane;vanadium(2+)
CID 157206789
methanediamine;titanium
CID 175360985
ethane;methanamine;methane;propane
CID 143798923
argon;ethanamine;methane
CID 159572652
ethane;ethane-1,2-diamine;dihydrochloride
CID 168908211
ethane;methane
CID 159598095
ethane;methane
CID 159981961
ethane;methane
CID 159950620

Frequently Asked Questions

What is the IUPAC name of ethane;methane;methanediamine?
The IUPAC name of ethane;methane;methanediamine (CID 159003496) is ethane;methane;methanediamine.
What is the SMILES notation for ethane;methane;methanediamine?
The canonical SMILES for ethane;methane;methanediamine is C.CC.CC.NCN.
What is the InChIKey of ethane;methane;methanediamine?
The InChIKey is JRQBKLUQSFBJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6.CH6N2.CH4/c2*1-2;2-1-3;/h2*1-2H3;1-3H2;1H4.
What are the key properties of ethane;methane;methanediamine?
ethane;methane;methanediamine has a molecular weight of 122.26 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methanediamine is sourced from PubChem (CID 159003496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).