3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine

C10H24N4 — CID 104882091

IUPAC3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN(CC)/C(=N/C)NN
InChIInChI=1S/C10H24N4/c1-5-9(6-2)8-14(7-3)10(12-4)13-11/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyOBKNNIKUMKURFI-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.19
Rot. Bonds5

About 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine

3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine (PubChem CID 104882091) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine
PubChem CID104882091
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN(CC)/C(=N/C)NN
InChIInChI=1S/C10H24N4/c1-5-9(6-2)8-14(7-3)10(12-4)13-11/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyOBKNNIKUMKURFI-UHFFFAOYSA-N
XLogP1.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine?
The IUPAC name of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine (CID 104882091) is 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine?
The canonical SMILES for 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine is CCC(CC)CN(CC)/C(=N/C)NN.
What is the InChIKey of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine?
The InChIKey is OBKNNIKUMKURFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-5-9(6-2)8-14(7-3)10(12-4)13-11/h9H,5-8,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine?
3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine has a molecular weight of 200.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-(2-ethylbutyl)-2-methylguanidine is sourced from PubChem (CID 104882091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).