N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine

C12H26N2O — CID 67773796

IUPACN-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine
SMILESCOCCNC(CN1CCCC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-11(2)12(13-6-9-15-3)10-14-7-4-5-8-14/h11-13H,4-10H2,1-3H3
InChIKeyLFXJFKLTDTYTCP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine

N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine (PubChem CID 67773796) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine
PubChem CID67773796
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine
SMILESCOCCNC(CN1CCCC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-11(2)12(13-6-9-15-3)10-14-7-4-5-8-14/h11-13H,4-10H2,1-3H3
InChIKeyLFXJFKLTDTYTCP-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine (CID 67773796) is N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine is COCCNC(CN1CCCC1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is LFXJFKLTDTYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)12(13-6-9-15-3)10-14-7-4-5-8-14/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine?
N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 67773796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).