4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine

C11H24N2O3 — CID 103534891

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O3/c1-14-9(6-12)4-5-13-7-10(15-2)11(8-13)16-3/h9-11H,4-8,12H2,1-3H3
InChIKeyXAMFIKRNYAWHDA-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.30
Rot. Bonds7

About 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine

4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine (PubChem CID 103534891) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
PubChem CID103534891
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O3/c1-14-9(6-12)4-5-13-7-10(15-2)11(8-13)16-3/h9-11H,4-8,12H2,1-3H3
InChIKeyXAMFIKRNYAWHDA-UHFFFAOYSA-N
XLogP-0.30
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3,4-Dimethoxypyrrolidine
CID 20745983
Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
(3S,4S)-3,4-dimethoxypyrrolidine;hydrochloride
CID 23537231
3-(2-Methoxyethoxy)pyrrolidine hydrochloride
CID 53413900
rac-(3R,4R)-3,4-dimethoxypyrrolidine hydrochloride
CID 66592962
rac-(3R,4S)-3,4-dimethoxypyrrolidine hydrochloride
CID 86775480
2-[2-[2-(1-Methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride
CID 11323710
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
(3S)-3-(2-ethoxyethoxy)pyrrolidine hydrochloride
CID 71756910
(3S,4S)-3,4-Dimethoxypyrrolidine
CID 14784825
3-(2-Methoxyethoxy)pyrrolidine
CID 18337162
(3R,4R)-3,4-Dimethoxypyrrolidine
CID 66592963

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine (CID 103534891) is 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine is COC(CN)CCN1CC(OC)C(OC)C1.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine?
The InChIKey is XAMFIKRNYAWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-14-9(6-12)4-5-13-7-10(15-2)11(8-13)16-3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine has a molecular weight of 232.32 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine is sourced from PubChem (CID 103534891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).