(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine

C13H25NO2 — CID 170926284

IUPAC(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
SMILESCC(C)OCC1(CN2CCOC[C@@H]2C)CC1
InChIInChI=1S/C13H25NO2/c1-11(2)16-10-13(4-5-13)9-14-6-7-15-8-12(14)3/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyKLAATJIGJUTRQF-LBPRGKRZSA-N
MW227.35 g/mol
LogP1.91
Rot. Bonds5

About (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine

(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine (PubChem CID 170926284) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
PubChem CID170926284
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
SMILESCC(C)OCC1(CN2CCOC[C@@H]2C)CC1
InChIInChI=1S/C13H25NO2/c1-11(2)16-10-13(4-5-13)9-14-6-7-15-8-12(14)3/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyKLAATJIGJUTRQF-LBPRGKRZSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine with MolForge

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Related Compounds

ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol
CID 176664343
[3-[(3-methylmorpholin-4-yl)methyl]oxolan-3-yl]methanol
CID 62271661
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243400
2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane
CID 174179731
dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate
CID 176927726
2-(methoxymethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 176926874
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741363
(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 130522087
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
1-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropan-1-amine
CID 131014785
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine (CID 170926284) is (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine is CC(C)OCC1(CN2CCOC[C@@H]2C)CC1.
What is the InChIKey of (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The InChIKey is KLAATJIGJUTRQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)16-10-13(4-5-13)9-14-6-7-15-8-12(14)3/h11-12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine?
(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine has a molecular weight of 227.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine is sourced from PubChem (CID 170926284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).