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

C10H17N3O — CID 535983

IUPACN-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
SMILESCC12CN3CN(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
InChIKeyJHRKPNVDOPKCMX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.43
Rot. Bonds

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

N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine (PubChem CID 535983) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
PubChem CID535983
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
SMILESCC12CN3CN(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
InChIKeyJHRKPNVDOPKCMX-UHFFFAOYSA-N
XLogP0.43
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The IUPAC name of N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine (CID 535983) is N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine.
What is the SMILES notation for N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The canonical SMILES for N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine is CC12CN3CN(C1)CC(C)(C3)C2=NO.
What is the InChIKey of N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The InChIKey is JHRKPNVDOPKCMX-UHFFFAOYSA-N. 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.
What are the key properties of N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine has a molecular weight of 195.27 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine is sourced from PubChem (CID 535983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).