N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C15H22N2O — CID 79904034

IUPACN-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1ccc(CNC2CCOC3(CCC3)C2)cn1
InChIInChI=1S/C15H22N2O/c1-12-3-4-13(10-16-12)11-17-14-5-8-18-15(9-14)6-2-7-15/h3-4,10,14,17H,2,5-9,11H2,1H3
InChIKeyLAOWBAONQAQJHW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.58
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79904034) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79904034
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1ccc(CNC2CCOC3(CCC3)C2)cn1
InChIInChI=1S/C15H22N2O/c1-12-3-4-13(10-16-12)11-17-14-5-8-18-15(9-14)6-2-7-15/h3-4,10,14,17H,2,5-9,11H2,1H3
InChIKeyLAOWBAONQAQJHW-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-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903736
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235565
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 154745659
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895344

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79904034) is N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is Cc1ccc(CNC2CCOC3(CCC3)C2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is LAOWBAONQAQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-3-4-13(10-16-12)11-17-14-5-8-18-15(9-14)6-2-7-15/h3-4,10,14,17H,2,5-9,11H2,1H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(6-methyl-3-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-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79904034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).