3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine

C13H31N5O — CID 102999154

IUPAC3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\CCOC)NN
InChIInChI=1S/C13H31N5O/c1-5-17(6-2)10-8-11-18(7-3)13(16-14)15-9-12-19-4/h5-12,14H2,1-4H3,(H,15,16)
InChIKeyBIIUFIRDNTZEHW-UHFFFAOYSA-N
MW273.43 g/mol
LogP0.51
Rot. Bonds10

About 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine

3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine (PubChem CID 102999154) has the molecular formula C13H31N5O and a molecular weight of 273.43 g/mol. Its IUPAC name is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
PubChem CID102999154
Molecular FormulaC13H31N5O
Molecular Weight273.43 g/mol
Exact Mass273.25
IUPAC Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\CCOC)NN
InChIInChI=1S/C13H31N5O/c1-5-17(6-2)10-8-11-18(7-3)13(16-14)15-9-12-19-4/h5-12,14H2,1-4H3,(H,15,16)
InChIKeyBIIUFIRDNTZEHW-UHFFFAOYSA-N
XLogP0.51
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine (CID 102999154) is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine is CCN(CC)CCCN(CC)/C(=N\CCOC)NN.
What is the InChIKey of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The InChIKey is BIIUFIRDNTZEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5O/c1-5-17(6-2)10-8-11-18(7-3)13(16-14)15-9-12-19-4/h5-12,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine has a molecular weight of 273.43 g/mol, XLogP of 0.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 102999154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).