2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine

C10H23N3O — CID 62361460

IUPAC2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine
SMILESCCN(CCOC)/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H23N3O/c1-6-13(7-8-14-5)9(11)12-10(2,3)4/h6-8H2,1-5H3,(H2,11,12)
InChIKeyHZPDSQQHKPYTAG-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.07
Rot. Bonds4

About 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine

2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine (PubChem CID 62361460) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine
PubChem CID62361460
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine
SMILESCCN(CCOC)/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H23N3O/c1-6-13(7-8-14-5)9(11)12-10(2,3)4/h6-8H2,1-5H3,(H2,11,12)
InChIKeyHZPDSQQHKPYTAG-UHFFFAOYSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine (CID 62361460) is 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine is CCN(CCOC)/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine?
The InChIKey is HZPDSQQHKPYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-6-13(7-8-14-5)9(11)12-10(2,3)4/h6-8H2,1-5H3,(H2,11,12).
What are the key properties of 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine?
2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 62361460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).