1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine

C12H26N4O2 — CID 104889055

IUPAC1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NC(C)C1CCOC1
InChIInChI=1S/C12H26N4O2/c1-3-17-7-4-6-14-12(16-13)15-10(2)11-5-8-18-9-11/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyJPOYVMIBWGHNNX-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.25
Rot. Bonds7

About 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine

1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine (PubChem CID 104889055) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
PubChem CID104889055
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NC(C)C1CCOC1
InChIInChI=1S/C12H26N4O2/c1-3-17-7-4-6-14-12(16-13)15-10(2)11-5-8-18-9-11/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyJPOYVMIBWGHNNX-UHFFFAOYSA-N
XLogP0.25
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.25
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-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
CID 104884008
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
CID 104888226
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 104885638
1-amino-2-(3-ethoxypropyl)-3-[1-(4-fluorophenyl)ethyl]guanidine
CID 116513978
1-amino-3-[1-(4-bromophenyl)ethyl]-2-(3-ethoxypropyl)guanidine
CID 116514349
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
1-amino-2-(3-ethoxypropyl)-3-(4-phenylbutan-2-yl)guanidine
CID 116514487
1-ethyl-3-(5-methylhexan-2-yl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111773386
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine (CID 104889055) is 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine is CCOCCC/N=C(\NN)NC(C)C1CCOC1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine?
The InChIKey is JPOYVMIBWGHNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-3-17-7-4-6-14-12(16-13)15-10(2)11-5-8-18-9-11/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine?
1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine has a molecular weight of 258.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine is sourced from PubChem (CID 104889055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).