3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine

C10H22N4O — CID 104886056

IUPAC3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
SMILESCCOCCN(CC)/C(=N/C1CC1)NN
InChIInChI=1S/C10H22N4O/c1-3-14(7-8-15-4-2)10(13-11)12-9-5-6-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeySPWRRRGJBNAMQG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.33
Rot. Bonds6

About 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine

3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine (PubChem CID 104886056) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
PubChem CID104886056
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
SMILESCCOCCN(CC)/C(=N/C1CC1)NN
InChIInChI=1S/C10H22N4O/c1-3-14(7-8-15-4-2)10(13-11)12-9-5-6-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeySPWRRRGJBNAMQG-UHFFFAOYSA-N
XLogP0.33
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
The IUPAC name of 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine (CID 104886056) is 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine.
What is the SMILES notation for 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
The canonical SMILES for 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine is CCOCCN(CC)/C(=N/C1CC1)NN.
What is the InChIKey of 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
The InChIKey is SPWRRRGJBNAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-14(7-8-15-4-2)10(13-11)12-9-5-6-9/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine has a molecular weight of 214.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine is sourced from PubChem (CID 104886056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).