3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol

C11H24N2O3 — CID 103540808

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CN1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O3/c1-11(8-14,12-2)7-13-5-9(15-3)10(6-13)16-4/h9-10,12,14H,5-8H2,1-4H3
InChIKeyOAAODNNGQKDZBW-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.70
Rot. Bonds6

About 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol

3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 103540808) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
PubChem CID103540808
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CN1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O3/c1-11(8-14,12-2)7-13-5-9(15-3)10(6-13)16-4/h9-10,12,14H,5-8H2,1-4H3
InChIKeyOAAODNNGQKDZBW-UHFFFAOYSA-N
XLogP-0.70
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]propan-1-ol
CID 57586969
(3S)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
CID 58421498
(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
CID 58421522
1-[2-(Propylamino)ethyl]pyrrolidin-3-ol
CID 62942087
1-[2-(Ethylamino)ethyl]pyrrolidin-3-ol
CID 62942090
1-[2-(Propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 62942272
1-[2-(Tert-butylamino)ethyl]pyrrolidin-3-ol
CID 62942460
(3S,4S)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 67028679
4-Amino-1-tert-butylpyrrolidin-3-ol
CID 68271823
(3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 89460487
(3S)-1-[2-(ethylamino)ethyl]pyrrolidin-3-ol
CID 94895888
(3S)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895890

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol (CID 103540808) is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(CO)CN1CC(OC)C(OC)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is OAAODNNGQKDZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-11(8-14,12-2)7-13-5-9(15-3)10(6-13)16-4/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 232.32 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 103540808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).