N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C12H26N2O — CID 79575382

IUPACN-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(COC)C(C)(C)N1CCCC1
InChIInChI=1S/C12H26N2O/c1-5-13-11(10-15-4)12(2,3)14-8-6-7-9-14/h11,13H,5-10H2,1-4H3
InChIKeyUCSAIHONHKBHFO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79575382) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79575382
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(COC)C(C)(C)N1CCCC1
InChIInChI=1S/C12H26N2O/c1-5-13-11(10-15-4)12(2,3)14-8-6-7-9-14/h11,13H,5-10H2,1-4H3
InChIKeyUCSAIHONHKBHFO-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79575382) is N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is CCNC(COC)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is UCSAIHONHKBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-13-11(10-15-4)12(2,3)14-8-6-7-9-14/h11,13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79575382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).