1-ethyl-1-methyl-3-methylideneguanidine

C5H11N3 — CID 59950676

IUPAC1-ethyl-1-methyl-3-methylideneguanidine
SMILES[H]/N=C(\N=C)N(C)CC
InChIInChI=1S/C5H11N3/c1-4-8(3)5(6)7-2/h6H,2,4H2,1,3H3/b6-5+
InChIKeyNXUBRKTUOAOGCU-AATRIKPKSA-N
MW113.16 g/mol
LogP0.57
Rot. Bonds1

About 1-ethyl-1-methyl-3-methylideneguanidine

1-ethyl-1-methyl-3-methylideneguanidine (PubChem CID 59950676) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-methylideneguanidine.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-methylideneguanidine
PubChem CID59950676
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1-ethyl-1-methyl-3-methylideneguanidine
SMILES[H]/N=C(\N=C)N(C)CC
InChIInChI=1S/C5H11N3/c1-4-8(3)5(6)7-2/h6H,2,4H2,1,3H3/b6-5+
InChIKeyNXUBRKTUOAOGCU-AATRIKPKSA-N
XLogP0.57
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
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 1-ethyl-1-methyl-3-methylideneguanidine?
The IUPAC name of 1-ethyl-1-methyl-3-methylideneguanidine (CID 59950676) is 1-ethyl-1-methyl-3-methylideneguanidine.
What is the SMILES notation for 1-ethyl-1-methyl-3-methylideneguanidine?
The canonical SMILES for 1-ethyl-1-methyl-3-methylideneguanidine is [H]/N=C(\N=C)N(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-3-methylideneguanidine?
The InChIKey is NXUBRKTUOAOGCU-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11N3/c1-4-8(3)5(6)7-2/h6H,2,4H2,1,3H3/b6-5+.
What are the key properties of 1-ethyl-1-methyl-3-methylideneguanidine?
1-ethyl-1-methyl-3-methylideneguanidine has a molecular weight of 113.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-methylideneguanidine is sourced from PubChem (CID 59950676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).