2-ethylguanidine;methane

C7H25N3 — CID 158655752

IUPAC2-ethylguanidine;methane
SMILESC.C.C.C.CCN=C(N)N
InChIInChI=1S/C3H9N3.4CH4/c1-2-6-3(4)5;;;;/h2H2,1H3,(H4,4,5,6);4*1H4
InChIKeyICCPMGGPAVQFGA-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.82
Rot. Bonds1

About 2-ethylguanidine;methane

2-ethylguanidine;methane (PubChem CID 158655752) has the molecular formula C7H25N3 and a molecular weight of 151.30 g/mol. Its IUPAC name is 2-ethylguanidine;methane.

Molecular Properties

Compound Name2-ethylguanidine;methane
PubChem CID158655752
Molecular FormulaC7H25N3
Molecular Weight151.30 g/mol
Exact Mass151.20
IUPAC Name2-ethylguanidine;methane
SMILESC.C.C.C.CCN=C(N)N
InChIInChI=1S/C3H9N3.4CH4/c1-2-6-3(4)5;;;;/h2H2,1H3,(H4,4,5,6);4*1H4
InChIKeyICCPMGGPAVQFGA-UHFFFAOYSA-N
XLogP1.82
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 2-ethylguanidine;methane?
The IUPAC name of 2-ethylguanidine;methane (CID 158655752) is 2-ethylguanidine;methane.
What is the SMILES notation for 2-ethylguanidine;methane?
The canonical SMILES for 2-ethylguanidine;methane is C.C.C.C.CCN=C(N)N.
What is the InChIKey of 2-ethylguanidine;methane?
The InChIKey is ICCPMGGPAVQFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.4CH4/c1-2-6-3(4)5;;;;/h2H2,1H3,(H4,4,5,6);4*1H4.
What are the key properties of 2-ethylguanidine;methane?
2-ethylguanidine;methane has a molecular weight of 151.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylguanidine;methane is sourced from PubChem (CID 158655752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).