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

C13H31N5O — CID 104883061

IUPAC1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCCN(CC)CC
InChIInChI=1S/C13H31N5O/c1-4-18(5-2)11-7-9-15-13(17-14)16-10-8-12-19-6-3/h4-12,14H2,1-3H3,(H2,15,16,17)
InChIKeySVMMUFVGNISTGE-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.55
Rot. Bonds11

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

1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine (PubChem CID 104883061) has the molecular formula C13H31N5O and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
PubChem CID104883061
Molecular FormulaC13H31N5O
Molecular Weight273.42 g/mol
Exact Mass273.25
IUPAC Name1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCCN(CC)CC
InChIInChI=1S/C13H31N5O/c1-4-18(5-2)11-7-9-15-13(17-14)16-10-8-12-19-6-3/h4-12,14H2,1-3H3,(H2,15,16,17)
InChIKeySVMMUFVGNISTGE-UHFFFAOYSA-N
XLogP0.55
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.55
H-Bond Donors ≤ 53
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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Related Compounds

1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
2-[3-(diethylamino)propyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897154
1-[3-(diethylamino)propyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405703
1-[3-(diethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945232
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
CID 104883067
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
CID 116514877
1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 116514706
1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
CID 106106954
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine (CID 104883061) is 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\NN)NCCCN(CC)CC.
What is the InChIKey of 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine?
The InChIKey is SVMMUFVGNISTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5O/c1-4-18(5-2)11-7-9-15-13(17-14)16-10-8-12-19-6-3/h4-12,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine?
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine has a molecular weight of 273.42 g/mol, XLogP of 0.55, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104883061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).