1-(N'-ethylcarbamimidoyl)-2-methylguanidine

C5H13N5 — CID 22899410

IUPAC1-(N'-ethylcarbamimidoyl)-2-methylguanidine
SMILESCC/N=C(\N)N/C(N)=N/C
InChIInChI=1S/C5H13N5/c1-3-9-5(7)10-4(6)8-2/h3H2,1-2H3,(H5,6,7,8,9,10)
InChIKeyHUIBRMOSUCOLPO-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.14
Rot. Bonds1

About 1-(N'-ethylcarbamimidoyl)-2-methylguanidine

1-(N'-ethylcarbamimidoyl)-2-methylguanidine (PubChem CID 22899410) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(N'-ethylcarbamimidoyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(N'-ethylcarbamimidoyl)-2-methylguanidine
PubChem CID22899410
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC Name1-(N'-ethylcarbamimidoyl)-2-methylguanidine
SMILESCC/N=C(\N)N/C(N)=N/C
InChIInChI=1S/C5H13N5/c1-3-9-5(7)10-4(6)8-2/h3H2,1-2H3,(H5,6,7,8,9,10)
InChIKeyHUIBRMOSUCOLPO-UHFFFAOYSA-N
XLogP-1.14
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-(N'-ethylcarbamimidoyl)-2-methylguanidine?
The IUPAC name of 1-(N'-ethylcarbamimidoyl)-2-methylguanidine (CID 22899410) is 1-(N'-ethylcarbamimidoyl)-2-methylguanidine.
What is the SMILES notation for 1-(N'-ethylcarbamimidoyl)-2-methylguanidine?
The canonical SMILES for 1-(N'-ethylcarbamimidoyl)-2-methylguanidine is CC/N=C(\N)N/C(N)=N/C.
What is the InChIKey of 1-(N'-ethylcarbamimidoyl)-2-methylguanidine?
The InChIKey is HUIBRMOSUCOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5/c1-3-9-5(7)10-4(6)8-2/h3H2,1-2H3,(H5,6,7,8,9,10).
What are the key properties of 1-(N'-ethylcarbamimidoyl)-2-methylguanidine?
1-(N'-ethylcarbamimidoyl)-2-methylguanidine has a molecular weight of 143.19 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-ethylcarbamimidoyl)-2-methylguanidine is sourced from PubChem (CID 22899410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).