N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine

C23H29N3O — CID 562625

IUPACN-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine
SMILESCC12CN(Cc3ccccc3)CC(C)(CN(Cc3ccccc3)C1)C2=NO
InChIInChI=1S/C23H29N3O/c1-22-15-25(13-19-9-5-3-6-10-19)17-23(2,21(22)24-27)18-26(16-22)14-20-11-7-4-8-12-20/h3-12,27H,13-18H2,1-2H3
InChIKeyNHTUUBFWQICOBQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.86
Rot. Bonds4

About N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine

N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine (PubChem CID 562625) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine
PubChem CID562625
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC NameN-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine
SMILESCC12CN(Cc3ccccc3)CC(C)(CN(Cc3ccccc3)C1)C2=NO
InChIInChI=1S/C23H29N3O/c1-22-15-25(13-19-9-5-3-6-10-19)17-23(2,21(22)24-27)18-26(16-22)14-20-11-7-4-8-12-20/h3-12,27H,13-18H2,1-2H3
InChIKeyNHTUUBFWQICOBQ-UHFFFAOYSA-N
XLogP3.86
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.86
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-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine?
The IUPAC name of N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine (CID 562625) is N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine?
The canonical SMILES for N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine is CC12CN(Cc3ccccc3)CC(C)(CN(Cc3ccccc3)C1)C2=NO.
What is the InChIKey of N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine?
The InChIKey is NHTUUBFWQICOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-22-15-25(13-19-9-5-3-6-10-19)17-23(2,21(22)24-27)18-26(16-22)14-20-11-7-4-8-12-20/h3-12,27H,13-18H2,1-2H3.
What are the key properties of N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine?
N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine has a molecular weight of 363.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)hydroxylamine is sourced from PubChem (CID 562625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).