2-(2-ethoxy-2-methylpropyl)guanidine

C7H17N3O — CID 114942747

IUPAC2-(2-ethoxy-2-methylpropyl)guanidine
SMILESCCOC(C)(C)CN=C(N)N
InChIInChI=1S/C7H17N3O/c1-4-11-7(2,3)5-10-6(8)9/h4-5H2,1-3H3,(H4,8,9,10)
InChIKeyCSMIVBGPXMQBBC-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.07
Rot. Bonds4

About 2-(2-ethoxy-2-methylpropyl)guanidine

2-(2-ethoxy-2-methylpropyl)guanidine (PubChem CID 114942747) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2-ethoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-ethoxy-2-methylpropyl)guanidine
PubChem CID114942747
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-(2-ethoxy-2-methylpropyl)guanidine
SMILESCCOC(C)(C)CN=C(N)N
InChIInChI=1S/C7H17N3O/c1-4-11-7(2,3)5-10-6(8)9/h4-5H2,1-3H3,(H4,8,9,10)
InChIKeyCSMIVBGPXMQBBC-UHFFFAOYSA-N
XLogP0.07
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
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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Related Compounds

N'-(2-ethoxy-2-methylpropyl)ethanimidamide
CID 114944274
N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide
CID 114944278
N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide
CID 114944271
2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine
CID 175426003
2-(2-hydroxy-2-methylpentyl)guanidine
CID 103661011
2-[2-methyl-2-(methylsulfanylamino)butyl]guanidine
CID 163418142
N'-(2-methoxy-2-methylpropyl)propanimidamide
CID 104766080
2-ethoxy-2-methyl-N'-propylpropanimidamide
CID 116732336
N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide
CID 116780038
2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
CID 118327794
2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 103711694
2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide
CID 116732384

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-methylpropyl)guanidine?
The IUPAC name of 2-(2-ethoxy-2-methylpropyl)guanidine (CID 114942747) is 2-(2-ethoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 2-(2-ethoxy-2-methylpropyl)guanidine?
The canonical SMILES for 2-(2-ethoxy-2-methylpropyl)guanidine is CCOC(C)(C)CN=C(N)N.
What is the InChIKey of 2-(2-ethoxy-2-methylpropyl)guanidine?
The InChIKey is CSMIVBGPXMQBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-11-7(2,3)5-10-6(8)9/h4-5H2,1-3H3,(H4,8,9,10).
What are the key properties of 2-(2-ethoxy-2-methylpropyl)guanidine?
2-(2-ethoxy-2-methylpropyl)guanidine has a molecular weight of 159.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 114942747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).