N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine

C10H16N2O — CID 174744536

IUPACN-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine
SMILESON=CC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C10H16N2O/c13-11-3-10-8-1-7-2-9(10)6-12(4-7)5-8/h3,7-10,13H,1-2,4-6H2
InChIKeyLLYUSNMKPUSUKP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.03
Rot. Bonds1

About N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine

N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine (PubChem CID 174744536) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine
PubChem CID174744536
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine
SMILESON=CC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C10H16N2O/c13-11-3-10-8-1-7-2-9(10)6-12(4-7)5-8/h3,7-10,13H,1-2,4-6H2
InChIKeyLLYUSNMKPUSUKP-UHFFFAOYSA-N
XLogP1.03
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine?
The IUPAC name of N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine (CID 174744536) is N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine is ON=CC1C2CC3CC1CN(C3)C2.
What is the InChIKey of N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine?
The InChIKey is LLYUSNMKPUSUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-11-3-10-8-1-7-2-9(10)6-12(4-7)5-8/h3,7-10,13H,1-2,4-6H2.
What are the key properties of N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine?
N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine has a molecular weight of 180.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azatricyclo[3.3.1.13,7]decan-4-ylmethylidene)hydroxylamine is sourced from PubChem (CID 174744536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).