(2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine

C13H25NO2 — CID 102586159

IUPAC(2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine
SMILESCO[C@@]1(C)OCC[C@@]1(C)NC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(9-10-16-13(12,2)15-3)14-11-7-5-4-6-8-11/h11,14H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeySZQPSRSZRZPPND-OLZOCXBDSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds3

About (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine

(2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine (PubChem CID 102586159) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine
PubChem CID102586159
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine
SMILESCO[C@@]1(C)OCC[C@@]1(C)NC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(9-10-16-13(12,2)15-3)14-11-7-5-4-6-8-11/h11,14H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeySZQPSRSZRZPPND-OLZOCXBDSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine?
The IUPAC name of (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine (CID 102586159) is (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine?
The canonical SMILES for (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine is CO[C@@]1(C)OCC[C@@]1(C)NC1CCCCC1.
What is the InChIKey of (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine?
The InChIKey is SZQPSRSZRZPPND-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(9-10-16-13(12,2)15-3)14-11-7-5-4-6-8-11/h11,14H,4-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine?
(2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine has a molecular weight of 227.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-cyclohexyl-2-methoxy-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 102586159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).