[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine

C16H30N2O — CID 102898456

IUPAC[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(CC2CCC3(CCCC3)O2)C1CN
InChIInChI=1S/C16H30N2O/c1-13-5-4-10-18(15(13)11-17)12-14-6-9-16(19-14)7-2-3-8-16/h13-15H,2-12,17H2,1H3
InChIKeyYVAGGOWDGUXBLB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.54
Rot. Bonds3

About [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine

[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 102898456) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
PubChem CID102898456
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(CC2CCC3(CCCC3)O2)C1CN
InChIInChI=1S/C16H30N2O/c1-13-5-4-10-18(15(13)11-17)12-14-6-9-16(19-14)7-2-3-8-16/h13-15H,2-12,17H2,1H3
InChIKeyYVAGGOWDGUXBLB-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine with MolForge

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Related Compounds

[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455
[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
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
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
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
[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 104575650
5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine (CID 102898456) is [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine is CC1CCCN(CC2CCC3(CCCC3)O2)C1CN.
What is the InChIKey of [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is YVAGGOWDGUXBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-5-4-10-18(15(13)11-17)12-14-6-9-16(19-14)7-2-3-8-16/h13-15H,2-12,17H2,1H3.
What are the key properties of [3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine?
[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 266.43 g/mol, XLogP of 2.54, 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[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 102898456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).