[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine

C13H27N3O — CID 104958168

IUPAC[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CN1C
InChIInChI=1S/C13H27N3O/c1-10-5-13(8-14,9-15(10)4)16-6-11(2)17-12(3)7-16/h10-12H,5-9,14H2,1-4H3/t10?,11-,12+,13?
InChIKeyABQAXBYGZZUYLT-UNTZMWQOSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds2

About [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine

[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 104958168) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID104958168
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CN1C
InChIInChI=1S/C13H27N3O/c1-10-5-13(8-14,9-15(10)4)16-6-11(2)17-12(3)7-16/h10-12H,5-9,14H2,1-4H3/t10?,11-,12+,13?
InChIKeyABQAXBYGZZUYLT-UNTZMWQOSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81467595
[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468812
[1-(2,6-dimethylmorpholin-4-yl)-3-methoxycyclobutyl]methanamine
CID 106821672
[3-(8-azaspiro[4.5]decan-8-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468505
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]oxolan-3-yl]methanamine
CID 104958107
[1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 81467368
[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine
CID 81468198
[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 81469831
[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468396
[1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088160
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 81467694

Frequently Asked Questions

What is the IUPAC name of [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine (CID 104958168) is [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine is CC1CC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CN1C.
What is the InChIKey of [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is ABQAXBYGZZUYLT-UNTZMWQOSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-5-13(8-14,9-15(10)4)16-6-11(2)17-12(3)7-16/h10-12H,5-9,14H2,1-4H3/t10?,11-,12+,13?.
What are the key properties of [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine?
[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 104958168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).