N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine

C18H28N2O — CID 107503959

IUPACN-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nc(C)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H28N2O/c1-4-19-17(16-10-13(2)20-14(3)11-16)15-6-9-21-18(12-15)7-5-8-18/h10-11,15,17,19H,4-9,12H2,1-3H3
InChIKeyQYHOZFCQFXSDAT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.70
Rot. Bonds4

About N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine

N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine (PubChem CID 107503959) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
PubChem CID107503959
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nc(C)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H28N2O/c1-4-19-17(16-10-13(2)20-14(3)11-16)15-6-9-21-18(12-15)7-5-8-18/h10-11,15,17,19H,4-9,12H2,1-3H3
InChIKeyQYHOZFCQFXSDAT-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010368
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134
N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016723
N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106755665
N-[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105166196
N-[(2,5-dichlorothiophen-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107968699
N-[(4-methoxythiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010344
N-[(2-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010288
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
N-[(5-methyl-3-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170790
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
N-[(2-chloro-4-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 79909226

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine (CID 107503959) is N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine is CCNC(c1cc(C)nc(C)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine?
The InChIKey is QYHOZFCQFXSDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-17(16-10-13(2)20-14(3)11-16)15-6-9-21-18(12-15)7-5-8-18/h10-11,15,17,19H,4-9,12H2,1-3H3.
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine?
N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine is sourced from PubChem (CID 107503959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).