1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine

C12H26N2O2 — CID 103532546

IUPAC1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(CC)CN1CC(OC)C(OC)C1
InChIInChI=1S/C12H26N2O2/c1-5-10(13-6-2)7-14-8-11(15-3)12(9-14)16-4/h10-13H,5-9H2,1-4H3
InChIKeyCSVFVZNYTPBEQX-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds7

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

1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine (PubChem CID 103532546) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine
PubChem CID103532546
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine
SMILESCCNC(CC)CN1CC(OC)C(OC)C1
InChIInChI=1S/C12H26N2O2/c1-5-10(13-6-2)7-14-8-11(15-3)12(9-14)16-4/h10-13H,5-9H2,1-4H3
InChIKeyCSVFVZNYTPBEQX-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine?
The IUPAC name of 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine (CID 103532546) is 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine is CCNC(CC)CN1CC(OC)C(OC)C1.
What is the InChIKey of 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine?
The InChIKey is CSVFVZNYTPBEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(13-6-2)7-14-8-11(15-3)12(9-14)16-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine?
1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 103532546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).