2-propan-2-ylguanidine chloride

C4H11ClN3- — CID 19698822

IUPAC2-propan-2-ylguanidine chloride
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/p-1
InChIKeyUHWHYRJXUNAUJR-UHFFFAOYSA-M
MW136.61 g/mol
LogP-3.33
Rot. Bonds1

About 2-propan-2-ylguanidine chloride

2-propan-2-ylguanidine chloride (PubChem CID 19698822) has the molecular formula C4H11ClN3- and a molecular weight of 136.61 g/mol. Its IUPAC name is 2-propan-2-ylguanidine chloride.

Molecular Properties

Compound Name2-propan-2-ylguanidine chloride
PubChem CID19698822
Molecular FormulaC4H11ClN3-
Molecular Weight136.61 g/mol
Exact Mass136.06
IUPAC Name2-propan-2-ylguanidine chloride
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/p-1
InChIKeyUHWHYRJXUNAUJR-UHFFFAOYSA-M
XLogP-3.33
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.61
LogP ≤ 5-3.33
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 chloride?
The IUPAC name of 2-propan-2-ylguanidine chloride (CID 19698822) is 2-propan-2-ylguanidine chloride.
What is the SMILES notation for 2-propan-2-ylguanidine chloride?
The canonical SMILES for 2-propan-2-ylguanidine chloride is CC(C)N=C(N)N.[Cl-].
What is the InChIKey of 2-propan-2-ylguanidine chloride?
The InChIKey is UHWHYRJXUNAUJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11N3.ClH/c1-3(2)7-4(5)6;/h3H,1-2H3,(H4,5,6,7);1H/p-1.
What are the key properties of 2-propan-2-ylguanidine chloride?
2-propan-2-ylguanidine chloride has a molecular weight of 136.61 g/mol, XLogP of -3.33, 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 chloride is sourced from PubChem (CID 19698822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).