adamantane;N-methylidenehydroxylamine

C11H19NO — CID 22590623

IUPACadamantane;N-methylidenehydroxylamine
SMILESC1C2CC3CC1CC(C2)C3.C=NO
InChIInChI=1S/C10H16.CH3NO/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-3/h7-10H,1-6H2;3H,1H2
InChIKeyQQPQBZAXZDLFAF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.91
Rot. Bonds

About adamantane;N-methylidenehydroxylamine

adamantane;N-methylidenehydroxylamine (PubChem CID 22590623) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is adamantane;N-methylidenehydroxylamine.

Molecular Properties

Compound Nameadamantane;N-methylidenehydroxylamine
PubChem CID22590623
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameadamantane;N-methylidenehydroxylamine
SMILESC1C2CC3CC1CC(C2)C3.C=NO
InChIInChI=1S/C10H16.CH3NO/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-3/h7-10H,1-6H2;3H,1H2
InChIKeyQQPQBZAXZDLFAF-UHFFFAOYSA-N
XLogP2.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 adamantane;N-methylidenehydroxylamine?
The IUPAC name of adamantane;N-methylidenehydroxylamine (CID 22590623) is adamantane;N-methylidenehydroxylamine.
What is the SMILES notation for adamantane;N-methylidenehydroxylamine?
The canonical SMILES for adamantane;N-methylidenehydroxylamine is C1C2CC3CC1CC(C2)C3.C=NO.
What is the InChIKey of adamantane;N-methylidenehydroxylamine?
The InChIKey is QQPQBZAXZDLFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.CH3NO/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-3/h7-10H,1-6H2;3H,1H2.
What are the key properties of adamantane;N-methylidenehydroxylamine?
adamantane;N-methylidenehydroxylamine has a molecular weight of 181.28 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;N-methylidenehydroxylamine is sourced from PubChem (CID 22590623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).