N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine

C16H24N2O2 — CID 79903736

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCOc1ccc(CNC2CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C16H24N2O2/c1-19-15-5-4-13(12-18-15)11-17-14-6-9-20-16(10-14)7-2-3-8-16/h4-5,12,14,17H,2-3,6-11H2,1H3
InChIKeyJIURMLITSBSJBP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.67
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine

N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79903736) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID79903736
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCOc1ccc(CNC2CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C16H24N2O2/c1-19-15-5-4-13(12-18-15)11-17-14-6-9-20-16(10-14)7-2-3-8-16/h4-5,12,14,17H,2-3,6-11H2,1H3
InChIKeyJIURMLITSBSJBP-UHFFFAOYSA-N
XLogP2.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 114938024
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 154745659
(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 124724919
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine
CID 114936254

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine (CID 79903736) is N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine is COc1ccc(CNC2CCOC3(CCCC3)C2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is JIURMLITSBSJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-15-5-4-13(12-18-15)11-17-14-6-9-20-16(10-14)7-2-3-8-16/h4-5,12,14,17H,2-3,6-11H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 276.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).