O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine

C13H25N3O — CID 54167361

IUPACO-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine
SMILESCc1nc(C)n(C(C)CC(C)(C)CON)c1C
InChIInChI=1S/C13H25N3O/c1-9(7-13(5,6)8-17-14)16-11(3)10(2)15-12(16)4/h9H,7-8,14H2,1-6H3
InChIKeyOSPBUJNTFDRTME-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.68
Rot. Bonds5

About O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine

O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine (PubChem CID 54167361) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine.

Molecular Properties

Compound NameO-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine
PubChem CID54167361
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameO-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine
SMILESCc1nc(C)n(C(C)CC(C)(C)CON)c1C
InChIInChI=1S/C13H25N3O/c1-9(7-13(5,6)8-17-14)16-11(3)10(2)15-12(16)4/h9H,7-8,14H2,1-6H3
InChIKeyOSPBUJNTFDRTME-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine?
The IUPAC name of O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine (CID 54167361) is O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine.
What is the SMILES notation for O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine?
The canonical SMILES for O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine is Cc1nc(C)n(C(C)CC(C)(C)CON)c1C.
What is the InChIKey of O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine?
The InChIKey is OSPBUJNTFDRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(7-13(5,6)8-17-14)16-11(3)10(2)15-12(16)4/h9H,7-8,14H2,1-6H3.
What are the key properties of O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine?
O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine has a molecular weight of 239.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine is sourced from PubChem (CID 54167361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).