(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C15H22N2O — CID 79914757

IUPAC(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccnc(C(N)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H22N2O/c1-11-3-7-17-13(9-11)14(16)12-4-8-18-15(10-12)5-2-6-15/h3,7,9,12,14H,2,4-6,8,10,16H2,1H3
InChIKeyPEFMQFQVHNPODD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.74
Rot. Bonds2

About (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79914757) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79914757
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccnc(C(N)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H22N2O/c1-11-3-7-17-13(9-11)14(16)12-4-8-18-15(10-12)5-2-6-15/h3,7,9,12,14H,2,4-6,8,10,16H2,1H3
InChIKeyPEFMQFQVHNPODD-UHFFFAOYSA-N
XLogP2.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105220110
N-methyl-1-(4-methyl-2-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914962
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
6-oxaspiro[4.5]decan-9-yl(pyrazin-2-yl)methanamine
CID 79914615
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911247
(6-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79915425
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanamine
CID 64775459
(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79914757) is (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cc1ccnc(C(N)C2CCOC3(CCC3)C2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is PEFMQFQVHNPODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-3-7-17-13(9-11)14(16)12-4-8-18-15(10-12)5-2-6-15/h3,7,9,12,14H,2,4-6,8,10,16H2,1H3.
What are the key properties of (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 246.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79914757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).