N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

C13H26N2O — CID 65163830

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCCN1CCC(CNCCC2CCCO2)C1
InChIInChI=1S/C13H26N2O/c1-2-15-8-6-12(11-15)10-14-7-5-13-4-3-9-16-13/h12-14H,2-11H2,1H3
InChIKeyNRRYFOKLDAGYLQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 65163830) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID65163830
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCCN1CCC(CNCCC2CCCO2)C1
InChIInChI=1S/C13H26N2O/c1-2-15-8-6-12(11-15)10-14-7-5-13-4-3-9-16-13/h12-14H,2-11H2,1H3
InChIKeyNRRYFOKLDAGYLQ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-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

N-[(1-ethylpiperidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163841
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 65161038
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 65160987
1-(1-ethylpyrrolidin-3-yl)-N-(oxan-3-ylmethyl)methanamine
CID 63740741
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
3-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66004196
N-(oxolan-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 82836650
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513685
N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 79174620
N-[[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114400294
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
1-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 82836663

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 65163830) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is CCN1CCC(CNCCC2CCCO2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is NRRYFOKLDAGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15-8-6-12(11-15)10-14-7-5-13-4-3-9-16-13/h12-14H,2-11H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 226.36 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-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65163830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).