1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine

C8H20N4O2 — CID 167404984

IUPAC1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine
SMILESCC(C)(C)CCC/N=C(\N)NOON
InChIInChI=1S/C8H20N4O2/c1-8(2,3)5-4-6-11-7(9)12-14-13-10/h4-6,10H2,1-3H3,(H3,9,11,12)
InChIKeyPXWCUDOIOIPJKY-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.45
Rot. Bonds5

About 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine

1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine (PubChem CID 167404984) has the molecular formula C8H20N4O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine.

Molecular Properties

Compound Name1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine
PubChem CID167404984
Molecular FormulaC8H20N4O2
Molecular Weight204.27 g/mol
Exact Mass204.16
IUPAC Name1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine
SMILESCC(C)(C)CCC/N=C(\N)NOON
InChIInChI=1S/C8H20N4O2/c1-8(2,3)5-4-6-11-7(9)12-14-13-10/h4-6,10H2,1-3H3,(H3,9,11,12)
InChIKeyPXWCUDOIOIPJKY-UHFFFAOYSA-N
XLogP0.45
TPSA94.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-[N'-(4,4-dimethylpentyl)carbamimidoyl]-2-propylguanidine
CID 129026582
2-(4,4-dimethylpentyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111818207
1-butyl-2-(5,5-dimethylhexyl)guanidine
CID 111101409
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232
2-(4,4-dimethylpentyl)-1,3-diethylguanidine
CID 111444529
1-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822616
N-[N-acetyl-N'-(4,4-dimethylpentyl)carbamimidoyl]acetamide
CID 59464026
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-hexyl-1-(2,3,3-trimethylheptan-2-yl)guanidine
CID 141123572
N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide
CID 176543093
N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide
CID 59630954

Frequently Asked Questions

What is the IUPAC name of 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine?
The IUPAC name of 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine (CID 167404984) is 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine.
What is the SMILES notation for 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine?
The canonical SMILES for 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine is CC(C)(C)CCC/N=C(\N)NOON.
What is the InChIKey of 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine?
The InChIKey is PXWCUDOIOIPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2/c1-8(2,3)5-4-6-11-7(9)12-14-13-10/h4-6,10H2,1-3H3,(H3,9,11,12).
What are the key properties of 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine?
1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine has a molecular weight of 204.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoperoxy-2-(4,4-dimethylpentyl)guanidine is sourced from PubChem (CID 167404984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).