N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine

C10H19N3O+2 — CID 6948547

IUPACN-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
SMILESCC12C[NH+]3C[NH+](C1)CC(C)(C3)C2=NO
InChIInChI=1S/C10H17N3O/c1-9-3-12-5-10(2,8(9)11-14)6-13(4-9)7-12/h14H,3-7H2,1-2H3/p+2
InChIKeyJHRKPNVDOPKCMX-UHFFFAOYSA-P
MW197.28 g/mol
LogP-2.40
Rot. Bonds

About N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine

N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine (PubChem CID 6948547) has the molecular formula C10H19N3O+2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
PubChem CID6948547
Molecular FormulaC10H19N3O+2
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
SMILESCC12C[NH+]3C[NH+](C1)CC(C)(C3)C2=NO
InChIInChI=1S/C10H17N3O/c1-9-3-12-5-10(2,8(9)11-14)6-13(4-9)7-12/h14H,3-7H2,1-2H3/p+2
InChIKeyJHRKPNVDOPKCMX-UHFFFAOYSA-P
XLogP-2.40
TPSA41.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
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 N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The IUPAC name of N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine (CID 6948547) is N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine.
What is the SMILES notation for N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The canonical SMILES for N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine is CC12C[NH+]3C[NH+](C1)CC(C)(C3)C2=NO.
What is the InChIKey of N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The InChIKey is JHRKPNVDOPKCMX-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H17N3O/c1-9-3-12-5-10(2,8(9)11-14)6-13(4-9)7-12/h14H,3-7H2,1-2H3/p+2.
What are the key properties of N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine has a molecular weight of 197.28 g/mol, XLogP of -2.40, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine is sourced from PubChem (CID 6948547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).