N-[1-(1-adamantyl)ethyl]hydroxylamine

C12H21NO — CID 23008706

IUPACN-[1-(1-adamantyl)ethyl]hydroxylamine
SMILESCC(NO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(13-14)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-14H,2-7H2,1H3
InChIKeyMYRPSUXUTIGXBP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.57
Rot. Bonds2

About N-[1-(1-adamantyl)ethyl]hydroxylamine

N-[1-(1-adamantyl)ethyl]hydroxylamine (PubChem CID 23008706) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]hydroxylamine
PubChem CID23008706
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[1-(1-adamantyl)ethyl]hydroxylamine
SMILESCC(NO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(13-14)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-14H,2-7H2,1H3
InChIKeyMYRPSUXUTIGXBP-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[1-(1-adamantyl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]hydroxylamine (CID 23008706) is N-[1-(1-adamantyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]hydroxylamine is CC(NO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]hydroxylamine?
The InChIKey is MYRPSUXUTIGXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(13-14)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-14H,2-7H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]hydroxylamine?
N-[1-(1-adamantyl)ethyl]hydroxylamine has a molecular weight of 195.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]hydroxylamine is sourced from PubChem (CID 23008706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).