N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine

C24H32N2O2 — CID 147039309

IUPACN-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
SMILESCc1cc(C)cc(CNCCC2(c3ccccn3)CCOC3(CCOC3)C2)c1
InChIInChI=1S/C24H32N2O2/c1-19-13-20(2)15-21(14-19)16-25-10-6-23(22-5-3-4-9-26-22)7-12-28-24(17-23)8-11-27-18-24/h3-5,9,13-15,25H,6-8,10-12,16-18H2,1-2H3
InChIKeyAZDFWHQTVHQAQX-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.09
Rot. Bonds6

About N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine

N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 147039309) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID147039309
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
SMILESCc1cc(C)cc(CNCCC2(c3ccccn3)CCOC3(CCOC3)C2)c1
InChIInChI=1S/C24H32N2O2/c1-19-13-20(2)15-21(14-19)16-25-10-6-23(22-5-3-4-9-26-22)7-12-28-24(17-23)8-11-27-18-24/h3-5,9,13-15,25H,6-8,10-12,16-18H2,1-2H3
InChIKeyAZDFWHQTVHQAQX-UHFFFAOYSA-N
XLogP4.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine with MolForge

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Related Compounds

N-[(3-methylphenyl)methyl]-2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]ethanamine
CID 149018948
N-[(3,5-dichlorophenyl)methyl]-2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]ethanamine
CID 155054307
2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine
CID 77476200
N-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 77476233
N-[(3-fluorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 142746692
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 129158559
N-[(6-bromo-5-fluoro-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 123264481
N-[(3-cyclopropyloxyphenyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride
CID 165391126
N-[(6-chloro-5-methoxy-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 129106271
N-[(5-methylsulfinyl-3-pyridinyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 134316281
N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 155054118
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 129158750

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine (CID 147039309) is N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine is Cc1cc(C)cc(CNCCC2(c3ccccn3)CCOC3(CCOC3)C2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is AZDFWHQTVHQAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-13-20(2)15-21(14-19)16-25-10-6-23(22-5-3-4-9-26-22)7-12-28-24(17-23)8-11-27-18-24/h3-5,9,13-15,25H,6-8,10-12,16-18H2,1-2H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 380.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 147039309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).