3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine

C9H19N3 — CID 170055961

IUPAC3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine
SMILESC=CN/C(=N/C(C)C)N(C)CC
InChIInChI=1S/C9H19N3/c1-6-10-9(11-8(3)4)12(5)7-2/h6,8H,1,7H2,2-5H3,(H,10,11)
InChIKeyZVYPYDGKMYGWIL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.44
Rot. Bonds3

About 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine

3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine (PubChem CID 170055961) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine
PubChem CID170055961
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine
SMILESC=CN/C(=N/C(C)C)N(C)CC
InChIInChI=1S/C9H19N3/c1-6-10-9(11-8(3)4)12(5)7-2/h6,8H,1,7H2,2-5H3,(H,10,11)
InChIKeyZVYPYDGKMYGWIL-UHFFFAOYSA-N
XLogP1.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine?
The IUPAC name of 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine (CID 170055961) is 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine.
What is the SMILES notation for 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine?
The canonical SMILES for 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine is C=CN/C(=N/C(C)C)N(C)CC.
What is the InChIKey of 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine?
The InChIKey is ZVYPYDGKMYGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6-10-9(11-8(3)4)12(5)7-2/h6,8H,1,7H2,2-5H3,(H,10,11).
What are the key properties of 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine?
3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine is sourced from PubChem (CID 170055961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).