4-(1-tert-butylpyrrolidin-3-yl)morpholine

C12H24N2O — CID 58364982

IUPAC4-(1-tert-butylpyrrolidin-3-yl)morpholine
SMILESCC(C)(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13/h11H,4-10H2,1-3H3
InChIKeyAKPVVNPOWFINPY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds1

About 4-(1-tert-butylpyrrolidin-3-yl)morpholine

4-(1-tert-butylpyrrolidin-3-yl)morpholine (PubChem CID 58364982) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(1-tert-butylpyrrolidin-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-tert-butylpyrrolidin-3-yl)morpholine
PubChem CID58364982
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(1-tert-butylpyrrolidin-3-yl)morpholine
SMILESCC(C)(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13/h11H,4-10H2,1-3H3
InChIKeyAKPVVNPOWFINPY-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-amine
CID 159962975
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540
2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
CID 63169684
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
4-cyclopropylmorpholine;ethane
CID 155594914
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrrolidin-3-yl)morpholine?
The IUPAC name of 4-(1-tert-butylpyrrolidin-3-yl)morpholine (CID 58364982) is 4-(1-tert-butylpyrrolidin-3-yl)morpholine.
What is the SMILES notation for 4-(1-tert-butylpyrrolidin-3-yl)morpholine?
The canonical SMILES for 4-(1-tert-butylpyrrolidin-3-yl)morpholine is CC(C)(C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-(1-tert-butylpyrrolidin-3-yl)morpholine?
The InChIKey is AKPVVNPOWFINPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13/h11H,4-10H2,1-3H3.
What are the key properties of 4-(1-tert-butylpyrrolidin-3-yl)morpholine?
4-(1-tert-butylpyrrolidin-3-yl)morpholine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrrolidin-3-yl)morpholine is sourced from PubChem (CID 58364982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).