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

C22H26N2O3 — CID 75164270

IUPACN-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
SMILESCOc1ccc(C2NC(c3ccc(OC)cc3)C3CCCC2C3=NO)cc1
InChIInChI=1S/C22H26N2O3/c1-26-16-10-6-14(7-11-16)20-18-4-3-5-19(22(18)24-25)21(23-20)15-8-12-17(27-2)13-9-15/h6-13,18-21,23,25H,3-5H2,1-2H3
InChIKeyNJGJBAVBROFWPQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.34
Rot. Bonds4

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

N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine (PubChem CID 75164270) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
PubChem CID75164270
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
SMILESCOc1ccc(C2NC(c3ccc(OC)cc3)C3CCCC2C3=NO)cc1
InChIInChI=1S/C22H26N2O3/c1-26-16-10-6-14(7-11-16)20-18-4-3-5-19(22(18)24-25)21(23-20)15-8-12-17(27-2)13-9-15/h6-13,18-21,23,25H,3-5H2,1-2H3
InChIKeyNJGJBAVBROFWPQ-UHFFFAOYSA-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

N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
CID 71590549
N-[2,4,6,8-tetrakis(4-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 52946680
N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
CID 71590609
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
(NE)-N-[2,4-bis(3-methoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 46880522
N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
CID 2870022
2,4-bis(4-butoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 102552192
3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 53407712
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
CID 134964565

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The IUPAC name of N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine (CID 75164270) is N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The canonical SMILES for N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine is COc1ccc(C2NC(c3ccc(OC)cc3)C3CCCC2C3=NO)cc1.
What is the InChIKey of N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
The InChIKey is NJGJBAVBROFWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-16-10-6-14(7-11-16)20-18-4-3-5-19(22(18)24-25)21(23-20)15-8-12-17(27-2)13-9-15/h6-13,18-21,23,25H,3-5H2,1-2H3.
What are the key properties of N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine?
N-[2,4-bis(4-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-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine is sourced from PubChem (CID 75164270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).