(NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine

C9H15N3O — CID 22217596

IUPAC(NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine
SMILESCC12CC3CN(CN(C3)/C1=N\O)C2
InChIInChI=1S/C9H15N3O/c1-9-2-7-3-11(5-9)6-12(4-7)8(9)10-13/h7,13H,2-6H2,1H3/b10-8-
InChIKeyATDVKZQLXQJXBT-NTMALXAHSA-N
MW181.24 g/mol
LogP0.39
Rot. Bonds

About (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine

(NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine (PubChem CID 22217596) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine
PubChem CID22217596
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine
SMILESCC12CC3CN(CN(C3)/C1=N\O)C2
InChIInChI=1S/C9H15N3O/c1-9-2-7-3-11(5-9)6-12(4-7)8(9)10-13/h7,13H,2-6H2,1H3/b10-8-
InChIKeyATDVKZQLXQJXBT-NTMALXAHSA-N
XLogP0.39
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.39
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 (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine (CID 22217596) is (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine is CC12CC3CN(CN(C3)/C1=N\O)C2.
What is the InChIKey of (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine?
The InChIKey is ATDVKZQLXQJXBT-NTMALXAHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9-2-7-3-11(5-9)6-12(4-7)8(9)10-13/h7,13H,2-6H2,1H3/b10-8-.
What are the key properties of (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine?
(NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine has a molecular weight of 181.24 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-ylidene)hydroxylamine is sourced from PubChem (CID 22217596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).