(2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine

C14H27NO2 — CID 176612925

IUPAC(2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESC=C[C@@]1(N)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H27NO2/c1-7-14(15)12(10(4)5)17-11(8-9(2)3)13(14)16-6/h7,9-13H,1,8,15H2,2-6H3/t11-,12+,13-,14+/m1/s1
InChIKeyZDYYHOHTQCRZEV-RQJABVFESA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds5

About (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine

(2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (PubChem CID 176612925) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
PubChem CID176612925
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESC=C[C@@]1(N)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H27NO2/c1-7-14(15)12(10(4)5)17-11(8-9(2)3)13(14)16-6/h7,9-13H,1,8,15H2,2-6H3/t11-,12+,13-,14+/m1/s1
InChIKeyZDYYHOHTQCRZEV-RQJABVFESA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The IUPAC name of (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (CID 176612925) is (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.
What is the SMILES notation for (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The canonical SMILES for (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine is C=C[C@@]1(N)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The InChIKey is ZDYYHOHTQCRZEV-RQJABVFESA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-14(15)12(10(4)5)17-11(8-9(2)3)13(14)16-6/h7,9-13H,1,8,15H2,2-6H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
(2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine is sourced from PubChem (CID 176612925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).