2-methyl-1-prop-1-en-2-ylguanidine

C5H11N3 — CID 6713726

IUPAC2-methyl-1-prop-1-en-2-ylguanidine
SMILESC=C(C)N/C(N)=N/C
InChIInChI=1S/C5H11N3/c1-4(2)8-5(6)7-3/h1H2,2-3H3,(H3,6,7,8)
InChIKeyCJPBYGNXXLZYJQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.05
Rot. Bonds1

About 2-methyl-1-prop-1-en-2-ylguanidine

2-methyl-1-prop-1-en-2-ylguanidine (PubChem CID 6713726) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methyl-1-prop-1-en-2-ylguanidine.

Molecular Properties

Compound Name2-methyl-1-prop-1-en-2-ylguanidine
PubChem CID6713726
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-methyl-1-prop-1-en-2-ylguanidine
SMILESC=C(C)N/C(N)=N/C
InChIInChI=1S/C5H11N3/c1-4(2)8-5(6)7-3/h1H2,2-3H3,(H3,6,7,8)
InChIKeyCJPBYGNXXLZYJQ-UHFFFAOYSA-N
XLogP0.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
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 2-methyl-1-prop-1-en-2-ylguanidine?
The IUPAC name of 2-methyl-1-prop-1-en-2-ylguanidine (CID 6713726) is 2-methyl-1-prop-1-en-2-ylguanidine.
What is the SMILES notation for 2-methyl-1-prop-1-en-2-ylguanidine?
The canonical SMILES for 2-methyl-1-prop-1-en-2-ylguanidine is C=C(C)N/C(N)=N/C.
What is the InChIKey of 2-methyl-1-prop-1-en-2-ylguanidine?
The InChIKey is CJPBYGNXXLZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(2)8-5(6)7-3/h1H2,2-3H3,(H3,6,7,8).
What are the key properties of 2-methyl-1-prop-1-en-2-ylguanidine?
2-methyl-1-prop-1-en-2-ylguanidine has a molecular weight of 113.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-1-en-2-ylguanidine is sourced from PubChem (CID 6713726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).