[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine

C17H32N2O — CID 102898455

IUPAC[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(CC2CCC3(CCCCC3)O2)C1CN
InChIInChI=1S/C17H32N2O/c1-14-6-5-11-19(16(14)12-18)13-15-7-10-17(20-15)8-3-2-4-9-17/h14-16H,2-13,18H2,1H3
InChIKeyCNLFSPDYWGOKCL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.93
Rot. Bonds3

About [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine

[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 102898455) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
PubChem CID102898455
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(CC2CCC3(CCCCC3)O2)C1CN
InChIInChI=1S/C17H32N2O/c1-14-6-5-11-19(16(14)12-18)13-15-7-10-17(20-15)8-3-2-4-9-17/h14-16H,2-13,18H2,1H3
InChIKeyCNLFSPDYWGOKCL-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898456
[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine
CID 102784429
2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
CID 102900024
4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102899450
methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
CID 102900010
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine (CID 102898455) is [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine is CC1CCCN(CC2CCC3(CCCCC3)O2)C1CN.
What is the InChIKey of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is CNLFSPDYWGOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14-6-5-11-19(16(14)12-18)13-15-7-10-17(20-15)8-3-2-4-9-17/h14-16H,2-13,18H2,1H3.
What are the key properties of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine?
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 280.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 102898455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).