2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine

C6H15N5 — CID 58619954

IUPAC2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCC/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C6H15N5/c1-4-9-5(7)10-6(8)11(2)3/h4H2,1-3H3,(H4,7,8,9,10)
InChIKeyLJKFXHRTWMQIKM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.80
Rot. Bonds1

About 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine

2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine (PubChem CID 58619954) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine
PubChem CID58619954
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCC/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C6H15N5/c1-4-9-5(7)10-6(8)11(2)3/h4H2,1-3H3,(H4,7,8,9,10)
InChIKeyLJKFXHRTWMQIKM-UHFFFAOYSA-N
XLogP-0.80
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.80
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-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine (CID 58619954) is 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine is CC/N=C(N)/N=C(\N)N(C)C.
What is the InChIKey of 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine?
The InChIKey is LJKFXHRTWMQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-4-9-5(7)10-6(8)11(2)3/h4H2,1-3H3,(H4,7,8,9,10).
What are the key properties of 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine?
2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine has a molecular weight of 157.22 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-ethylcarbamimidoyl)-1,1-dimethylguanidine is sourced from PubChem (CID 58619954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).