2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine

C25H34N2O — CID 77476200

IUPAC2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine
SMILESCc1cccc(CCNCCC2(c3ccccn3)CCOC3(CCCC3)C2)c1
InChIInChI=1S/C25H34N2O/c1-21-7-6-8-22(19-21)10-16-26-17-13-24(23-9-2-5-15-27-23)14-18-28-25(20-24)11-3-4-12-25/h2,5-9,15,19,26H,3-4,10-14,16-18,20H2,1H3
InChIKeyVGPDKJQGJBSLLP-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.97
Rot. Bonds7

About 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine

2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine (PubChem CID 77476200) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine
PubChem CID77476200
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine
SMILESCc1cccc(CCNCCC2(c3ccccn3)CCOC3(CCCC3)C2)c1
InChIInChI=1S/C25H34N2O/c1-21-7-6-8-22(19-21)10-16-26-17-13-24(23-9-2-5-15-27-23)14-18-28-25(20-24)11-3-4-12-25/h2,5-9,15,19,26H,3-4,10-14,16-18,20H2,1H3
InChIKeyVGPDKJQGJBSLLP-UHFFFAOYSA-N
XLogP4.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]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-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-fluoro-5-methyl-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 77476233
N-[(2,6-difluorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 129158672
N-[(3,5-dimethylphenyl)methyl]-2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 147039309
N-[(3-cyclopropyloxyphenyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine;hydrochloride
CID 165391126
N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 77476252
N-[(2,3-dimethoxyphenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 134303904
N-[(6-chloro-5-methoxy-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 129106271
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 129158750
(9R)-9-(3-methylphenyl)-9-[4-(3-methylphenyl)butyl]-6-oxaspiro[4.5]decane
CID 148707004

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine?
The IUPAC name of 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine (CID 77476200) is 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine is Cc1cccc(CCNCCC2(c3ccccn3)CCOC3(CCCC3)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine?
The InChIKey is VGPDKJQGJBSLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-21-7-6-8-22(19-21)10-16-26-17-13-24(23-9-2-5-15-27-23)14-18-28-25(20-24)11-3-4-12-25/h2,5-9,15,19,26H,3-4,10-14,16-18,20H2,1H3.
What are the key properties of 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine?
2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine has a molecular weight of 378.56 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine is sourced from PubChem (CID 77476200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).