N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine

C22H28N2O — CID 87683274

IUPACN-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine
SMILESCCC(=NOC)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc3ccccc3c1)N2C
InChIInChI=1S/C22H28N2O/c1-4-20(23-25-3)22-19(14-18-11-12-21(22)24(18)2)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13,18-19,21-22H,4,11-12,14H2,1-3H3/t18?,19-,21+,22+/m0/s1
InChIKeyXSTFQBXVMVUFAT-SPPJFZGQSA-N
MW336.48 g/mol
LogP4.82
Rot. Bonds4

About N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine

N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine (PubChem CID 87683274) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine
PubChem CID87683274
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine
SMILESCCC(=NOC)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc3ccccc3c1)N2C
InChIInChI=1S/C22H28N2O/c1-4-20(23-25-3)22-19(14-18-11-12-21(22)24(18)2)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13,18-19,21-22H,4,11-12,14H2,1-3H3/t18?,19-,21+,22+/m0/s1
InChIKeyXSTFQBXVMVUFAT-SPPJFZGQSA-N
XLogP4.82
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Naphth-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 18689926
3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(3-(1-piperidinyl)propyl)oxime, monohydrochloride
CID 6510152
1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one O-methyl-oxime
CID 86590496
1-[(1S,2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87679139
1-[(1R,2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87679700
1-[(1S,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87679701
1-[(1R,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87683481
(E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 89161944
8-Methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane
CID 91320470
(Z)-N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
CID 6914408
(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
CID 6914409
N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
CID 3074436

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine?
The IUPAC name of N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine (CID 87683274) is N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine.
What is the SMILES notation for N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine?
The canonical SMILES for N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine is CCC(=NOC)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc3ccccc3c1)N2C.
What is the InChIKey of N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine?
The InChIKey is XSTFQBXVMVUFAT-SPPJFZGQSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-20(23-25-3)22-19(14-18-11-12-21(22)24(18)2)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13,18-19,21-22H,4,11-12,14H2,1-3H3/t18?,19-,21+,22+/m0/s1.
What are the key properties of N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine?
N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine has a molecular weight of 336.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[(1R,2S,3R)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-imine is sourced from PubChem (CID 87683274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).