(NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine

C23H28N2O3 — CID 46880522

IUPAC(NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
SMILESCOc1cccc(C2NC(c3cccc(OC)c3)C3(C)CCCC2/C3=N\O)c1
InChIInChI=1S/C23H28N2O3/c1-23-12-6-11-19(22(23)25-26)20(15-7-4-9-17(13-15)27-2)24-21(23)16-8-5-10-18(14-16)28-3/h4-5,7-10,13-14,19-21,24,26H,6,11-12H2,1-3H3/b25-22+
InChIKeyKXJPOZONBNJYPY-YYDJUVGSSA-N
MW380.49 g/mol
LogP4.73
Rot. Bonds4

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

(NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine (PubChem CID 46880522) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
PubChem CID46880522
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
SMILESCOc1cccc(C2NC(c3cccc(OC)c3)C3(C)CCCC2/C3=N\O)c1
InChIInChI=1S/C23H28N2O3/c1-23-12-6-11-19(22(23)25-26)20(15-7-4-9-17(13-15)27-2)24-21(23)16-8-5-10-18(14-16)28-3/h4-5,7-10,13-14,19-21,24,26H,6,11-12H2,1-3H3/b25-22+
InChIKeyKXJPOZONBNJYPY-YYDJUVGSSA-N
XLogP4.73
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.73
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

2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
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5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
CID 84725237
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
[2-(3-methoxyphenyl)cyclohexyl]hydrazine
CID 53402469
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine (CID 46880522) is (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine is COc1cccc(C2NC(c3cccc(OC)c3)C3(C)CCCC2/C3=N\O)c1.
What is the InChIKey of (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The InChIKey is KXJPOZONBNJYPY-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23-12-6-11-19(22(23)25-26)20(15-7-4-9-17(13-15)27-2)24-21(23)16-8-5-10-18(14-16)28-3/h4-5,7-10,13-14,19-21,24,26H,6,11-12H2,1-3H3/b25-22+.
What are the key properties of (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
(NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine has a molecular weight of 380.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine is sourced from PubChem (CID 46880522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).