[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine

C10H20N2O — CID 67126509

IUPAC[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H20N2O/c11-7-9-1-4-12(8-9)10-2-5-13-6-3-10/h9-10H,1-8,11H2/t9-/m0/s1
InChIKeyHURMEBYRGRUOHS-VIFPVBQESA-N
MW184.28 g/mol
LogP0.45
Rot. Bonds2

About [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine

[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 67126509) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID67126509
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H20N2O/c11-7-9-1-4-12(8-9)10-2-5-13-6-3-10/h9-10H,1-8,11H2/t9-/m0/s1
InChIKeyHURMEBYRGRUOHS-VIFPVBQESA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine (CID 67126509) is [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine is NC[C@@H]1CCN(C2CCOCC2)C1.
What is the InChIKey of [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is HURMEBYRGRUOHS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O/c11-7-9-1-4-12(8-9)10-2-5-13-6-3-10/h9-10H,1-8,11H2/t9-/m0/s1.
What are the key properties of [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine?
[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 67126509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).