2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine

C7H16N4O2 — CID 166950375

IUPAC2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine
SMILESC/N=C(/NCCOC(C)C)NN=O
InChIInChI=1S/C7H16N4O2/c1-6(2)13-5-4-9-7(8-3)10-11-12/h6H,4-5H2,1-3H3,(H2,8,9,10,12)
InChIKeyJKRPCZAAHCOISS-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.26
Rot. Bonds5

About 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine

2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine (PubChem CID 166950375) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine
PubChem CID166950375
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine
SMILESC/N=C(/NCCOC(C)C)NN=O
InChIInChI=1S/C7H16N4O2/c1-6(2)13-5-4-9-7(8-3)10-11-12/h6H,4-5H2,1-3H3,(H2,8,9,10,12)
InChIKeyJKRPCZAAHCOISS-UHFFFAOYSA-N
XLogP0.26
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine?
The IUPAC name of 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine (CID 166950375) is 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine.
What is the SMILES notation for 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine?
The canonical SMILES for 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine is C/N=C(/NCCOC(C)C)NN=O.
What is the InChIKey of 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine?
The InChIKey is JKRPCZAAHCOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-6(2)13-5-4-9-7(8-3)10-11-12/h6H,4-5H2,1-3H3,(H2,8,9,10,12).
What are the key properties of 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine?
2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine has a molecular weight of 188.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine is sourced from PubChem (CID 166950375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).