4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine

C21H42N2O — CID 139341902

IUPAC4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
SMILESCC(C)(C)CCN1CCC(CC(C)(C)CCCN2CCOCC2)C1
InChIInChI=1S/C21H42N2O/c1-20(2,3)9-12-23-11-7-19(18-23)17-21(4,5)8-6-10-22-13-15-24-16-14-22/h19H,6-18H2,1-5H3
InChIKeyZWAFELGKNSTLOS-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.27
Rot. Bonds8

About 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine

4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine (PubChem CID 139341902) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine.

Molecular Properties

Compound Name4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
PubChem CID139341902
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
SMILESCC(C)(C)CCN1CCC(CC(C)(C)CCCN2CCOCC2)C1
InChIInChI=1S/C21H42N2O/c1-20(2,3)9-12-23-11-7-19(18-23)17-21(4,5)8-6-10-22-13-15-24-16-14-22/h19H,6-18H2,1-5H3
InChIKeyZWAFELGKNSTLOS-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 155472825
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine
CID 124625056
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
1-[4-[1-(3,3-dimethylbutyl)azepan-4-yl]-3,3-dimethylbutyl]azocane
CID 170446747
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
4-[2-[3-(2-bromoethyl)pyrrolidin-1-yl]ethyl]morpholine
CID 114800432
4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
CID 80675433
1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropyl)pyrrolidine;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 161474195

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine?
The IUPAC name of 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine (CID 139341902) is 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine.
What is the SMILES notation for 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine?
The canonical SMILES for 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine is CC(C)(C)CCN1CCC(CC(C)(C)CCCN2CCOCC2)C1.
What is the InChIKey of 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine?
The InChIKey is ZWAFELGKNSTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-20(2,3)9-12-23-11-7-19(18-23)17-21(4,5)8-6-10-22-13-15-24-16-14-22/h19H,6-18H2,1-5H3.
What are the key properties of 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine?
4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine has a molecular weight of 338.58 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine is sourced from PubChem (CID 139341902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).