(3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine

C11H22N2O — CID 143374852

IUPAC(3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine
SMILESCC(C)[C@H]1COCCN1[C@@H]1CCNC1
InChIInChI=1S/C11H22N2O/c1-9(2)11-8-14-6-5-13(11)10-3-4-12-7-10/h9-12H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyMBEKYVBKBSKIDY-GHMZBOCLSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine

(3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine (PubChem CID 143374852) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine
PubChem CID143374852
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine
SMILESCC(C)[C@H]1COCCN1[C@@H]1CCNC1
InChIInChI=1S/C11H22N2O/c1-9(2)11-8-14-6-5-13(11)10-3-4-12-7-10/h9-12H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyMBEKYVBKBSKIDY-GHMZBOCLSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
4-[(Pyrrolidin-3-yl)methyl]morpholine
CID 14627371
4-(Pyrrolidin-3-yl)morpholine
CID 14627373
3-Methyl-2-(morpholin-4-yl)butan-1-amine
CID 16227933
{1-[2-(Morpholin-4-yl)ethyl]pyrrolidin-3-yl}methanamine
CID 24703103
1-(Oxolan-3-yl)piperazine
CID 53249946
4-(Pyrrolidin-3-yl)morpholine dihydrochloride
CID 53409900
Morpholine, 4-(4-methyl-3-pyrrolidinyl)-
CID 73994640
4-{[(3R)-pyrrolidin-3-yl]methyl}morpholine
CID 86311657
4-{[(3S)-pyrrolidin-3-yl]methyl}morpholine
CID 86311659
rac-4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine,cis
CID 99868085
9-Methyl-2-oxa-6,9-diazaspiro(4.5)decane
CID 121207667

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine?
The IUPAC name of (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine (CID 143374852) is (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine.
What is the SMILES notation for (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine?
The canonical SMILES for (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine is CC(C)[C@H]1COCCN1[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine?
The InChIKey is MBEKYVBKBSKIDY-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)11-8-14-6-5-13(11)10-3-4-12-7-10/h9-12H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine?
(3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 143374852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).