N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C15H22N2O — CID 79904113

IUPACN-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cccnc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C15H22N2O/c1-12-4-2-8-16-14(12)11-17-13-5-9-18-15(10-13)6-3-7-15/h2,4,8,13,17H,3,5-7,9-11H2,1H3
InChIKeyCKQFGKHBBTUILW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.58
Rot. Bonds3

About N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79904113) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79904113
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cccnc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C15H22N2O/c1-12-4-2-8-16-14(12)11-17-13-5-9-18-15(10-13)6-3-7-15/h2,4,8,13,17H,3,5-7,9-11H2,1H3
InChIKeyCKQFGKHBBTUILW-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903039
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895344
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79904113) is N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is Cc1cccnc1CNC1CCOC2(CCC2)C1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is CKQFGKHBBTUILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-2-8-16-14(12)11-17-13-5-9-18-15(10-13)6-3-7-15/h2,4,8,13,17H,3,5-7,9-11H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 246.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79904113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).