1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine

C11H26N4O — CID 104882927

IUPAC1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine
SMILESCCCC(C)N/C(=N/CCCOCC)NN
InChIInChI=1S/C11H26N4O/c1-4-7-10(3)14-11(15-12)13-8-6-9-16-5-2/h10H,4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyIDJDFNHRGNXHET-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.01
Rot. Bonds8

About 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine

1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine (PubChem CID 104882927) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine
PubChem CID104882927
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine
SMILESCCCC(C)N/C(=N/CCCOCC)NN
InChIInChI=1S/C11H26N4O/c1-4-7-10(3)14-11(15-12)13-8-6-9-16-5-2/h10H,4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyIDJDFNHRGNXHET-UHFFFAOYSA-N
XLogP1.01
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
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 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine (CID 104882927) is 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine is CCCC(C)N/C(=N/CCCOCC)NN.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine?
The InChIKey is IDJDFNHRGNXHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-4-7-10(3)14-11(15-12)13-8-6-9-16-5-2/h10H,4-9,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine?
1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine has a molecular weight of 230.36 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine is sourced from PubChem (CID 104882927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).