N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine

C12H24N2O — CID 93218125

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
SMILESCCN1CCC[C@@H]1CNC1CCOCC1
InChIInChI=1S/C12H24N2O/c1-2-14-7-3-4-12(14)10-13-11-5-8-15-9-6-11/h11-13H,2-10H2,1H3/t12-/m1/s1
InChIKeyGXGBSTPRTBNFKD-GFCCVEGCSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine (PubChem CID 93218125) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
PubChem CID93218125
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
SMILESCCN1CCC[C@@H]1CNC1CCOCC1
InChIInChI=1S/C12H24N2O/c1-2-14-7-3-4-12(14)10-13-11-5-8-15-9-6-11/h11-13H,2-10H2,1H3/t12-/m1/s1
InChIKeyGXGBSTPRTBNFKD-GFCCVEGCSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine (CID 93218125) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine is CCN1CCC[C@@H]1CNC1CCOCC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine?
The InChIKey is GXGBSTPRTBNFKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-14-7-3-4-12(14)10-13-11-5-8-15-9-6-11/h11-13H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine is sourced from PubChem (CID 93218125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).