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

C9H15N3O — CID 7240376

IUPAC(NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
SMILESCC12CN3CC(CN(C3)C1)/C2=N/O
InChIInChI=1S/C9H15N3O/c1-9-4-11-2-7(8(9)10-13)3-12(5-9)6-11/h7,13H,2-6H2,1H3/b10-8+
InChIKeyOWOVOWIYBZMAKV-CSKARUKUSA-N
MW181.24 g/mol
LogP0.04
Rot. Bonds

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

(NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine (PubChem CID 7240376) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
PubChem CID7240376
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine
SMILESCC12CN3CC(CN(C3)C1)/C2=N/O
InChIInChI=1S/C9H15N3O/c1-9-4-11-2-7(8(9)10-13)3-12(5-9)6-11/h7,13H,2-6H2,1H3/b10-8+
InChIKeyOWOVOWIYBZMAKV-CSKARUKUSA-N
XLogP0.04
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.04
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 (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine (CID 7240376) is (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine is CC12CN3CC(CN(C3)C1)/C2=N/O.
What is the InChIKey of (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
The InChIKey is OWOVOWIYBZMAKV-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9-4-11-2-7(8(9)10-13)3-12(5-9)6-11/h7,13H,2-6H2,1H3/b10-8+.
What are the key properties of (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine?
(NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine has a molecular weight of 181.24 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydroxylamine is sourced from PubChem (CID 7240376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).