1-amino-1-ethyl-2-methylguanidine

C4H12N4 — CID 151166246

IUPAC1-amino-1-ethyl-2-methylguanidine
SMILESCCN(N)/C(N)=N/C
InChIInChI=1S/C4H12N4/c1-3-8(6)4(5)7-2/h3,6H2,1-2H3,(H2,5,7)
InChIKeyNBHRVKGPXIAKKL-UHFFFAOYSA-N
MW116.17 g/mol
LogP-0.87
Rot. Bonds1

About 1-amino-1-ethyl-2-methylguanidine

1-amino-1-ethyl-2-methylguanidine (PubChem CID 151166246) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 1-amino-1-ethyl-2-methylguanidine.

Molecular Properties

Compound Name1-amino-1-ethyl-2-methylguanidine
PubChem CID151166246
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name1-amino-1-ethyl-2-methylguanidine
SMILESCCN(N)/C(N)=N/C
InChIInChI=1S/C4H12N4/c1-3-8(6)4(5)7-2/h3,6H2,1-2H3,(H2,5,7)
InChIKeyNBHRVKGPXIAKKL-UHFFFAOYSA-N
XLogP-0.87
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Amino-ethylguanidine
CID 19819531
N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 155130415
5,6-dihydro-4H-pyrimidine-1,2-diamine
CID 9812770
4,5-Dihydroimidazole-1,2-diamine
CID 9833935
1-Amino-1-propylguanidine
CID 19879838
1,2-Diamino-1-ethylguanidine
CID 19966848
2-propyl-2H-1,3,5-triazine-1,4,6-triamine
CID 21081841
1-[Ethyl(methyl)amino]-1,2-dimethylguanidine
CID 21341304
1,2-Diamino-1-ethylguanidine
CID 53920496
1,2-Diamino-1-ethylguanidine
CID 55279274
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 57211337
1-Amino-1-ethylguanidine;hydrochloride
CID 86084678

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-ethyl-2-methylguanidine?
The IUPAC name of 1-amino-1-ethyl-2-methylguanidine (CID 151166246) is 1-amino-1-ethyl-2-methylguanidine.
What is the SMILES notation for 1-amino-1-ethyl-2-methylguanidine?
The canonical SMILES for 1-amino-1-ethyl-2-methylguanidine is CCN(N)/C(N)=N/C.
What is the InChIKey of 1-amino-1-ethyl-2-methylguanidine?
The InChIKey is NBHRVKGPXIAKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-3-8(6)4(5)7-2/h3,6H2,1-2H3,(H2,5,7).
What are the key properties of 1-amino-1-ethyl-2-methylguanidine?
1-amino-1-ethyl-2-methylguanidine has a molecular weight of 116.17 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethyl-2-methylguanidine is sourced from PubChem (CID 151166246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).