2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine

C12H26N2O — CID 114802527

IUPAC2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
SMILESCCCCOCCN1CCC(CCN)C1
InChIInChI=1S/C12H26N2O/c1-2-3-9-15-10-8-14-7-5-12(11-14)4-6-13/h12H,2-11,13H2,1H3
InChIKeyQHQGLEFBBKZJOI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds8

About 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine

2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 114802527) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
PubChem CID114802527
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
SMILESCCCCOCCN1CCC(CCN)C1
InChIInChI=1S/C12H26N2O/c1-2-3-9-15-10-8-14-7-5-12(11-14)4-6-13/h12H,2-11,13H2,1H3
InChIKeyQHQGLEFBBKZJOI-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
CID 80691458
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
CID 114802608
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine (CID 114802527) is 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine is CCCCOCCN1CCC(CCN)C1.
What is the InChIKey of 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is QHQGLEFBBKZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-3-9-15-10-8-14-7-5-12(11-14)4-6-13/h12H,2-11,13H2,1H3.
What are the key properties of 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine?
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).