1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine

C14H28N2O — CID 114115331

IUPAC1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(C(C)C2CCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-14-4-7-16(10-14)12(3)13-5-8-17-9-6-13/h11-15H,4-10H2,1-3H3
InChIKeyGVDJNNOHWDQXLI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine

1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 114115331) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID114115331
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(C(C)C2CCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-14-4-7-16(10-14)12(3)13-5-8-17-9-6-13/h11-15H,4-10H2,1-3H3
InChIKeyGVDJNNOHWDQXLI-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
1-morpholin-4-yl-N-propan-2-ylpyrrolidin-3-amine
CID 83024719
[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 105400777
1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine
CID 80715611
N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane
CID 114115320
1-(1-cyclohexylethyl)-N-ethylpiperidin-4-amine
CID 62406841
[1-(1-cyclopentylethyl)pyrrolidin-3-yl]methanamine
CID 62632841
1-[1-(1-cyclohexylethyl)piperidin-4-yl]ethanamine
CID 63596713
1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
CID 65066559
(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
CID 166764327
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine (CID 114115331) is 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine is CC(C)NC1CCN(C(C)C2CCOCC2)C1.
What is the InChIKey of 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is GVDJNNOHWDQXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-14-4-7-16(10-14)12(3)13-5-8-17-9-6-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine?
1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 114115331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).