4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol

C13H28N2O3 — CID 103540799

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCN1CC(OC)C(OC)C1
InChIInChI=1S/C13H28N2O3/c1-5-14-13(2,10-16)6-7-15-8-11(17-3)12(9-15)18-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyQOMQIFALXLVOCH-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.08
Rot. Bonds8

About 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol

4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol (PubChem CID 103540799) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
PubChem CID103540799
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCNC(C)(CO)CCN1CC(OC)C(OC)C1
InChIInChI=1S/C13H28N2O3/c1-5-14-13(2,10-16)6-7-15-8-11(17-3)12(9-15)18-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyQOMQIFALXLVOCH-UHFFFAOYSA-N
XLogP0.08
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 103540847
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 103540808
2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 113336335
2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
CID 64791863
5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 103537872
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 103538112
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 103539263

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol (CID 103540799) is 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol is CCNC(C)(CO)CCN1CC(OC)C(OC)C1.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is QOMQIFALXLVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-14-13(2,10-16)6-7-15-8-11(17-3)12(9-15)18-4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol?
4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 103540799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).