N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine

C12H26N4O2 — CID 171384267

IUPACN-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(C)(C)C(N)C(N)C(C)(C)C(C)=NO
InChIInChI=1S/C12H26N4O2/c1-7(15-17)11(3,4)9(13)10(14)12(5,6)8(2)16-18/h9-10,17-18H,13-14H2,1-6H3
InChIKeyOLMPWLZYXNAVBS-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.39
Rot. Bonds5

About N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine

N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine (PubChem CID 171384267) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine
PubChem CID171384267
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(C)(C)C(N)C(N)C(C)(C)C(C)=NO
InChIInChI=1S/C12H26N4O2/c1-7(15-17)11(3,4)9(13)10(14)12(5,6)8(2)16-18/h9-10,17-18H,13-14H2,1-6H3
InChIKeyOLMPWLZYXNAVBS-UHFFFAOYSA-N
XLogP1.39
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine?
The IUPAC name of N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine (CID 171384267) is N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine is CC(=NO)C(C)(C)C(N)C(N)C(C)(C)C(C)=NO.
What is the InChIKey of N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine?
The InChIKey is OLMPWLZYXNAVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-7(15-17)11(3,4)9(13)10(14)12(5,6)8(2)16-18/h9-10,17-18H,13-14H2,1-6H3.
What are the key properties of N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine?
N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine has a molecular weight of 258.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diamino-7-hydroxyimino-3,3,6,6-tetramethyloctan-2-ylidene)hydroxylamine is sourced from PubChem (CID 171384267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).