1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine

C16H24N2O2 — CID 106755659

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
SMILESCNC(c1ccnc(C)c1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(3-6-18-12)15(17-2)14-4-7-20-16(10-14)5-8-19-11-16/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyQXKASSTXWNRLQK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine (PubChem CID 106755659) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
PubChem CID106755659
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
SMILESCNC(c1ccnc(C)c1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(3-6-18-12)15(17-2)14-4-7-20-16(10-14)5-8-19-11-16/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyQXKASSTXWNRLQK-UHFFFAOYSA-N
XLogP2.24
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine with MolForge

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Related Compounds

N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
1-(4-chloro-3-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017166
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 79914297
1-(4-bromo-3-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017006
1-(2,6-dimethyl-3-pyridinyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105170298
N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106755665
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79911371
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
1-(2,5-dibromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017245
(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 107503040
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105170316

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine (CID 106755659) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine is CNC(c1ccnc(C)c1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is QXKASSTXWNRLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(3-6-18-12)15(17-2)14-4-7-20-16(10-14)5-8-19-11-16/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 106755659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).