N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine

C14H18N2O2 — CID 18507032

IUPACN-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine
SMILESON=C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-15-12-6-13-9-18-10-14(7-12)16(13)8-11-4-2-1-3-5-11/h1-5,13-14,17H,6-10H2
InChIKeySPZDXOZZDUZYRC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds2

About N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine

N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine (PubChem CID 18507032) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine
PubChem CID18507032
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine
SMILESON=C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-15-12-6-13-9-18-10-14(7-12)16(13)8-11-4-2-1-3-5-11/h1-5,13-14,17H,6-10H2
InChIKeySPZDXOZZDUZYRC-UHFFFAOYSA-N
XLogP1.88
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
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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Related Compounds

N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
CID 11859694
N-[9-[(4-nitrophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene]hydroxylamine
CID 139648305
(1S,5S)-9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 98043423
9-benzyl-7-ethylidene-3-oxa-9-azabicyclo[3.3.1]nonane
CID 171951604
9-benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 68843951
methyl 2-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)acetate
CID 171951560
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanethiol
CID 171937335
9-benzyl-7-but-2-en-2-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171975060
9-benzyl-7-cyclopropyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953238
4-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)phenol
CID 171972864
9-benzyl-7-(3-methylbut-2-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952918
9-benzyl-7-(3,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958520

Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine?
The IUPAC name of N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine (CID 18507032) is N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine.
What is the SMILES notation for N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine?
The canonical SMILES for N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine is ON=C1CC2COCC(C1)N2Cc1ccccc1.
What is the InChIKey of N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine?
The InChIKey is SPZDXOZZDUZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-15-12-6-13-9-18-10-14(7-12)16(13)8-11-4-2-1-3-5-11/h1-5,13-14,17H,6-10H2.
What are the key properties of N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine?
N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine has a molecular weight of 246.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene)hydroxylamine is sourced from PubChem (CID 18507032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).