N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine

C22H26N2O3 — CID 46180132

IUPACN-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
SMILESCOc1ccccc1C1NC(c2ccccc2OC)[C@H]2CCC[C@@H]1/C2=N/O
InChIInChI=1S/C22H26N2O3/c1-26-18-12-5-3-8-14(18)20-16-10-7-11-17(22(16)24-25)21(23-20)15-9-4-6-13-19(15)27-2/h3-6,8-9,12-13,16-17,20-21,23,25H,7,10-11H2,1-2H3/b24-22-/t16-,17+,20?,21?/m0/s1
InChIKeyFTJDRMCWCBCLIZ-NARRCWORSA-N
MW366.46 g/mol
LogP4.34
Rot. Bonds4

About N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine

N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine (PubChem CID 46180132) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
PubChem CID46180132
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
SMILESCOc1ccccc1C1NC(c2ccccc2OC)[C@H]2CCC[C@@H]1/C2=N/O
InChIInChI=1S/C22H26N2O3/c1-26-18-12-5-3-8-14(18)20-16-10-7-11-17(22(16)24-25)21(23-20)15-9-4-6-13-19(15)27-2/h3-6,8-9,12-13,16-17,20-21,23,25H,7,10-11H2,1-2H3/b24-22-/t16-,17+,20?,21?/m0/s1
InChIKeyFTJDRMCWCBCLIZ-NARRCWORSA-N
XLogP4.34
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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CID 66651942
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003
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CID 51427393

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The IUPAC name of N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine (CID 46180132) is N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine.
What is the SMILES notation for N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The canonical SMILES for N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine is COc1ccccc1C1NC(c2ccccc2OC)[C@H]2CCC[C@@H]1/C2=N/O.
What is the InChIKey of N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The InChIKey is FTJDRMCWCBCLIZ-NARRCWORSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-18-12-5-3-8-14(18)20-16-10-7-11-17(22(16)24-25)21(23-20)15-9-4-6-13-19(15)27-2/h3-6,8-9,12-13,16-17,20-21,23,25H,7,10-11H2,1-2H3/b24-22-/t16-,17+,20?,21?/m0/s1.
What are the key properties of N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine has a molecular weight of 366.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine is sourced from PubChem (CID 46180132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).