ethane;methane;2-methylguanidine

C5H17N3 — CID 159190146

IUPACethane;methane;2-methylguanidine
SMILESC.CC.CN=C(N)N
InChIInChI=1S/C2H7N3.C2H6.CH4/c1-5-2(3)4;1-2;/h1H3,(H4,3,4,5);1-2H3;1H4
InChIKeyKNZGLRCQCMATMA-UHFFFAOYSA-N
MW119.21 g/mol
LogP0.55
Rot. Bonds

About ethane;methane;2-methylguanidine

ethane;methane;2-methylguanidine (PubChem CID 159190146) has the molecular formula C5H17N3 and a molecular weight of 119.21 g/mol. Its IUPAC name is ethane;methane;2-methylguanidine.

Molecular Properties

Compound Nameethane;methane;2-methylguanidine
PubChem CID159190146
Molecular FormulaC5H17N3
Molecular Weight119.21 g/mol
Exact Mass119.14
IUPAC Nameethane;methane;2-methylguanidine
SMILESC.CC.CN=C(N)N
InChIInChI=1S/C2H7N3.C2H6.CH4/c1-5-2(3)4;1-2;/h1H3,(H4,3,4,5);1-2H3;1H4
InChIKeyKNZGLRCQCMATMA-UHFFFAOYSA-N
XLogP0.55
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole
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methanamine;N'-methylethanimidamide;2-methylprop-1-ene
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1-ethyl-1,2-dimethylguanidine;methane
CID 158668223
N'-[(Z)-1-aminoethylideneamino]ethanimidamide;ethane
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2-methyl-1-sulfanylguanidine
CID 142184997
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1,2-dimethylguanidine;methanamine
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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylguanidine?
The IUPAC name of ethane;methane;2-methylguanidine (CID 159190146) is ethane;methane;2-methylguanidine.
What is the SMILES notation for ethane;methane;2-methylguanidine?
The canonical SMILES for ethane;methane;2-methylguanidine is C.CC.CN=C(N)N.
What is the InChIKey of ethane;methane;2-methylguanidine?
The InChIKey is KNZGLRCQCMATMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3.C2H6.CH4/c1-5-2(3)4;1-2;/h1H3,(H4,3,4,5);1-2H3;1H4.
What are the key properties of ethane;methane;2-methylguanidine?
ethane;methane;2-methylguanidine has a molecular weight of 119.21 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylguanidine is sourced from PubChem (CID 159190146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).