2-propan-2-ylguanidine;hydrochloride

C4H12ClN3 — CID 86585725

IUPAC2-propan-2-ylguanidine;hydrochloride
SMILESCC(C)N=C(N)N.Cl
InChIInChI=1S/C4H11N3.ClH/c1-3(2)7-4(5)6;/h3H,1-2H3,(H4,5,6,7);1H
InChIKeyUHWHYRJXUNAUJR-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.09
Rot. Bonds1

About 2-propan-2-ylguanidine;hydrochloride

2-propan-2-ylguanidine;hydrochloride (PubChem CID 86585725) has the molecular formula C4H12ClN3 and a molecular weight of 137.61 g/mol. Its IUPAC name is 2-propan-2-ylguanidine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-ylguanidine;hydrochloride
PubChem CID86585725
Molecular FormulaC4H12ClN3
Molecular Weight137.61 g/mol
Exact Mass137.07
IUPAC Name2-propan-2-ylguanidine;hydrochloride
SMILESCC(C)N=C(N)N.Cl
InChIInChI=1S/C4H11N3.ClH/c1-3(2)7-4(5)6;/h3H,1-2H3,(H4,5,6,7);1H
InChIKeyUHWHYRJXUNAUJR-UHFFFAOYSA-N
XLogP0.09
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.09
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;hydrochloride?
The IUPAC name of 2-propan-2-ylguanidine;hydrochloride (CID 86585725) is 2-propan-2-ylguanidine;hydrochloride.
What is the SMILES notation for 2-propan-2-ylguanidine;hydrochloride?
The canonical SMILES for 2-propan-2-ylguanidine;hydrochloride is CC(C)N=C(N)N.Cl.
What is the InChIKey of 2-propan-2-ylguanidine;hydrochloride?
The InChIKey is UHWHYRJXUNAUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3.ClH/c1-3(2)7-4(5)6;/h3H,1-2H3,(H4,5,6,7);1H.
What are the key properties of 2-propan-2-ylguanidine;hydrochloride?
2-propan-2-ylguanidine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.09, 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;hydrochloride is sourced from PubChem (CID 86585725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).