2-(aminomethyl)-1-ethylguanidine

C4H12N4 — CID 123525556

IUPAC2-(aminomethyl)-1-ethylguanidine
SMILESCCNC(N)=NCN
InChIInChI=1S/C4H12N4/c1-2-7-4(6)8-3-5/h2-3,5H2,1H3,(H3,6,7,8)
InChIKeyABLLYJZYZIADRE-UHFFFAOYSA-N
MW116.17 g/mol
LogP-1.17
Rot. Bonds2

About 2-(aminomethyl)-1-ethylguanidine

2-(aminomethyl)-1-ethylguanidine (PubChem CID 123525556) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 2-(aminomethyl)-1-ethylguanidine.

Molecular Properties

Compound Name2-(aminomethyl)-1-ethylguanidine
PubChem CID123525556
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name2-(aminomethyl)-1-ethylguanidine
SMILESCCNC(N)=NCN
InChIInChI=1S/C4H12N4/c1-2-7-4(6)8-3-5/h2-3,5H2,1H3,(H3,6,7,8)
InChIKeyABLLYJZYZIADRE-UHFFFAOYSA-N
XLogP-1.17
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-1.17
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 2-(aminomethyl)-1-ethylguanidine?
The IUPAC name of 2-(aminomethyl)-1-ethylguanidine (CID 123525556) is 2-(aminomethyl)-1-ethylguanidine.
What is the SMILES notation for 2-(aminomethyl)-1-ethylguanidine?
The canonical SMILES for 2-(aminomethyl)-1-ethylguanidine is CCNC(N)=NCN.
What is the InChIKey of 2-(aminomethyl)-1-ethylguanidine?
The InChIKey is ABLLYJZYZIADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-2-7-4(6)8-3-5/h2-3,5H2,1H3,(H3,6,7,8).
What are the key properties of 2-(aminomethyl)-1-ethylguanidine?
2-(aminomethyl)-1-ethylguanidine has a molecular weight of 116.17 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-ethylguanidine is sourced from PubChem (CID 123525556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).