3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine

C11H26N4O — CID 104884542

IUPAC3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
SMILESCCC/N=C(\NN)N(CCOC)CC(C)C
InChIInChI=1S/C11H26N4O/c1-5-6-13-11(14-12)15(7-8-16-4)9-10(2)3/h10H,5-9,12H2,1-4H3,(H,13,14)
InChIKeyBNJRLRLACCYVNP-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.82
Rot. Bonds7

About 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine

3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine (PubChem CID 104884542) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
PubChem CID104884542
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
SMILESCCC/N=C(\NN)N(CCOC)CC(C)C
InChIInChI=1S/C11H26N4O/c1-5-6-13-11(14-12)15(7-8-16-4)9-10(2)3/h10H,5-9,12H2,1-4H3,(H,13,14)
InChIKeyBNJRLRLACCYVNP-UHFFFAOYSA-N
XLogP0.82
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine?
The IUPAC name of 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine (CID 104884542) is 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine is CCC/N=C(\NN)N(CCOC)CC(C)C.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine?
The InChIKey is BNJRLRLACCYVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-5-6-13-11(14-12)15(7-8-16-4)9-10(2)3/h10H,5-9,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine?
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine has a molecular weight of 230.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine is sourced from PubChem (CID 104884542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).