3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine

C9H20N4 — CID 104886480

IUPAC3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine
SMILESCC/N=C(\NN)N(C)CC1CC1C
InChIInChI=1S/C9H20N4/c1-4-11-9(12-10)13(3)6-8-5-7(8)2/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeySJYAZXVGKTXDHP-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.41
Rot. Bonds3

About 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine

3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine (PubChem CID 104886480) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine
PubChem CID104886480
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine
SMILESCC/N=C(\NN)N(C)CC1CC1C
InChIInChI=1S/C9H20N4/c1-4-11-9(12-10)13(3)6-8-5-7(8)2/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeySJYAZXVGKTXDHP-UHFFFAOYSA-N
XLogP0.41
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.41
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-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine?
The IUPAC name of 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine (CID 104886480) is 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine?
The canonical SMILES for 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine is CC/N=C(\NN)N(C)CC1CC1C.
What is the InChIKey of 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine?
The InChIKey is SJYAZXVGKTXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-4-11-9(12-10)13(3)6-8-5-7(8)2/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine?
3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 104886480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).