5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

C15H32N2O3 — CID 103540839

IUPAC5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN1CC(OC)C(OC)C1
InChIInChI=1S/C15H32N2O3/c1-5-8-16-15(2,12-18)7-6-9-17-10-13(19-3)14(11-17)20-4/h13-14,16,18H,5-12H2,1-4H3
InChIKeyXOUDAQIXPWLWSN-UHFFFAOYSA-N
MW288.43 g/mol
LogP0.86
Rot. Bonds10

About 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 103540839) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID103540839
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN1CC(OC)C(OC)C1
InChIInChI=1S/C15H32N2O3/c1-5-8-16-15(2,12-18)7-6-9-17-10-13(19-3)14(11-17)20-4/h13-14,16,18H,5-12H2,1-4H3
InChIKeyXOUDAQIXPWLWSN-UHFFFAOYSA-N
XLogP0.86
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 103540799
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 103540847
5-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106804079
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-1-amine
CID 103539930
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 113336335
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (CID 103540839) is 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN1CC(OC)C(OC)C1.
What is the InChIKey of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is XOUDAQIXPWLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-5-8-16-15(2,12-18)7-6-9-17-10-13(19-3)14(11-17)20-4/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 0.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 103540839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).