N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine

C8H15N3O — CID 136598227

IUPACN-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine
SMILESCCCCN1CCN=C1C=NO
InChIInChI=1S/C8H15N3O/c1-2-3-5-11-6-4-9-8(11)7-10-12/h7,12H,2-6H2,1H3
InChIKeyRXGPJUBQAMGEOQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.96
Rot. Bonds4

About N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine

N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine (PubChem CID 136598227) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine
PubChem CID136598227
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine
SMILESCCCCN1CCN=C1C=NO
InChIInChI=1S/C8H15N3O/c1-2-3-5-11-6-4-9-8(11)7-10-12/h7,12H,2-6H2,1H3
InChIKeyRXGPJUBQAMGEOQ-UHFFFAOYSA-N
XLogP0.96
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine (CID 136598227) is N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine is CCCCN1CCN=C1C=NO.
What is the InChIKey of N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine?
The InChIKey is RXGPJUBQAMGEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-5-11-6-4-9-8(11)7-10-12/h7,12H,2-6H2,1H3.
What are the key properties of N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine?
N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine has a molecular weight of 169.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-4,5-dihydroimidazol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136598227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).