3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine

C10H24N4O — CID 104883516

IUPAC3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
SMILESCCCN(C)/C(=N\CCCOCC)NN
InChIInChI=1S/C10H24N4O/c1-4-8-14(3)10(13-11)12-7-6-9-15-5-2/h4-9,11H2,1-3H3,(H,12,13)
InChIKeyVWSYTAFYCNASLV-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.57
Rot. Bonds7

About 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine

3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine (PubChem CID 104883516) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine.

Molecular Properties

Compound Name3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
PubChem CID104883516
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
SMILESCCCN(C)/C(=N\CCCOCC)NN
InChIInChI=1S/C10H24N4O/c1-4-8-14(3)10(13-11)12-7-6-9-15-5-2/h4-9,11H2,1-3H3,(H,12,13)
InChIKeyVWSYTAFYCNASLV-UHFFFAOYSA-N
XLogP0.57
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.57
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-(3-ethoxypropyl)-1-methyl-1-propylguanidine?
The IUPAC name of 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine (CID 104883516) is 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine.
What is the SMILES notation for 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine?
The canonical SMILES for 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine is CCCN(C)/C(=N\CCCOCC)NN.
What is the InChIKey of 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine?
The InChIKey is VWSYTAFYCNASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-4-8-14(3)10(13-11)12-7-6-9-15-5-2/h4-9,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine?
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine has a molecular weight of 216.33 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine is sourced from PubChem (CID 104883516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).