2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine

C13H26N2O — CID 115210453

IUPAC2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
SMILESC1CNC(CCNCCC2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-13(15-7-1)4-9-14-8-3-12-5-10-16-11-6-12/h12-15H,1-11H2
InChIKeyHVBGRLSXZYAHLE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.53
Rot. Bonds6

About 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine

2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine (PubChem CID 115210453) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
PubChem CID115210453
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
SMILESC1CNC(CCNCCC2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-13(15-7-1)4-9-14-8-3-12-5-10-16-11-6-12/h12-15H,1-11H2
InChIKeyHVBGRLSXZYAHLE-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
CID 126845736
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845727
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide
CID 104972699
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
N-(cyclobutylmethyl)-2-piperidin-2-ylethanamine
CID 115211136
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
3-[2-(oxan-4-yl)ethylamino]propane-1-thiol
CID 115225191

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine (CID 115210453) is 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine is C1CNC(CCNCCC2CCOCC2)C1.
What is the InChIKey of 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The InChIKey is HVBGRLSXZYAHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-13(15-7-1)4-9-14-8-3-12-5-10-16-11-6-12/h12-15H,1-11H2.
What are the key properties of 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine is sourced from PubChem (CID 115210453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).