2-propan-2-ylguanidine

C4H11N3 — CID 11491919

IUPAC2-propan-2-ylguanidine
SMILESCC(C)N=C(N)N
InChIInChI=1S/C4H11N3/c1-3(2)7-4(5)6/h3H,1-2H3,(H4,5,6,7)
InChIKeyUZEKTDVGUQCDBI-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.33
Rot. Bonds1

About 2-propan-2-ylguanidine

2-propan-2-ylguanidine (PubChem CID 11491919) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-propan-2-ylguanidine.

Molecular Properties

Compound Name2-propan-2-ylguanidine
PubChem CID11491919
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name2-propan-2-ylguanidine
SMILESCC(C)N=C(N)N
InChIInChI=1S/C4H11N3/c1-3(2)7-4(5)6/h3H,1-2H3,(H4,5,6,7)
InChIKeyUZEKTDVGUQCDBI-UHFFFAOYSA-N
XLogP-0.33
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.33
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-propan-2-ylguanidine?
The IUPAC name of 2-propan-2-ylguanidine (CID 11491919) is 2-propan-2-ylguanidine.
What is the SMILES notation for 2-propan-2-ylguanidine?
The canonical SMILES for 2-propan-2-ylguanidine is CC(C)N=C(N)N.
What is the InChIKey of 2-propan-2-ylguanidine?
The InChIKey is UZEKTDVGUQCDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-3(2)7-4(5)6/h3H,1-2H3,(H4,5,6,7).
What are the key properties of 2-propan-2-ylguanidine?
2-propan-2-ylguanidine has a molecular weight of 101.15 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylguanidine is sourced from PubChem (CID 11491919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).