(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine

C18H28N2O2 — CID 129490196

IUPAC(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine
SMILESC[C@@H](CC1CCOCC1)N[C@H]1CCCO[C@@H]1c1ccncc1
InChIInChI=1S/C18H28N2O2/c1-14(13-15-6-11-21-12-7-15)20-17-3-2-10-22-18(17)16-4-8-19-9-5-16/h4-5,8-9,14-15,17-18,20H,2-3,6-7,10-13H2,1H3/t14-,17-,18+/m0/s1
InChIKeyUXUAGWMUQMFXAR-JCGIZDLHSA-N
MW304.43 g/mol
LogP3.10
Rot. Bonds5

About (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine

(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine (PubChem CID 129490196) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine
PubChem CID129490196
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine
SMILESC[C@@H](CC1CCOCC1)N[C@H]1CCCO[C@@H]1c1ccncc1
InChIInChI=1S/C18H28N2O2/c1-14(13-15-6-11-21-12-7-15)20-17-3-2-10-22-18(17)16-4-8-19-9-5-16/h4-5,8-9,14-15,17-18,20H,2-3,6-7,10-13H2,1H3/t14-,17-,18+/m0/s1
InChIKeyUXUAGWMUQMFXAR-JCGIZDLHSA-N
XLogP3.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine?
The IUPAC name of (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine (CID 129490196) is (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine.
What is the SMILES notation for (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine?
The canonical SMILES for (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine is C[C@@H](CC1CCOCC1)N[C@H]1CCCO[C@@H]1c1ccncc1.
What is the InChIKey of (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine?
The InChIKey is UXUAGWMUQMFXAR-JCGIZDLHSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(13-15-6-11-21-12-7-15)20-17-3-2-10-22-18(17)16-4-8-19-9-5-16/h4-5,8-9,14-15,17-18,20H,2-3,6-7,10-13H2,1H3/t14-,17-,18+/m0/s1.
What are the key properties of (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine?
(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine has a molecular weight of 304.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine is sourced from PubChem (CID 129490196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).