N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine

C11H22N2O — CID 93316782

IUPACN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine
SMILESCN1CC[C@H](CNC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h10-12H,2-9H2,1H3/t10-/m1/s1
InChIKeyKPHLLHCECRMMCI-SNVBAGLBSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

About N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine

N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine (PubChem CID 93316782) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine
PubChem CID93316782
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine
SMILESCN1CC[C@H](CNC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h10-12H,2-9H2,1H3/t10-/m1/s1
InChIKeyKPHLLHCECRMMCI-SNVBAGLBSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-((oxolan-3-yl)methyl)piperidin-4-amine dihydrochloride
CID 54594204
4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-amine
CID 91910974
N-isopentyl-N-(4-piperidyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 91916173
1-(Oxolan-3-ylmethyl)piperidin-4-amine
CID 18001793
N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54594205
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxan-4-amine
CID 54927242
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxan-4-amine
CID 64102188
N-[(3-fluoropyrrolidin-3-yl)methyl]oxan-4-amine
CID 105454671
N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine
CID 114272033
[3-Fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
CID 115022684
3-[(3-Fluoropyrrolidin-1-yl)methyl]oxan-4-amine
CID 164657963
3-Methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine
CID 71871886

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine (CID 93316782) is N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine is CN1CC[C@H](CNC2CCOCC2)C1.
What is the InChIKey of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine?
The InChIKey is KPHLLHCECRMMCI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h10-12H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine?
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 93316782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).