2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine

C12H25NO — CID 125486818

IUPAC2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine
SMILESCC(C)[C@@H]1[C@H](C)CCC[C@@H]1OCCN
InChIInChI=1S/C12H25NO/c1-9(2)12-10(3)5-4-6-11(12)14-8-7-13/h9-12H,4-8,13H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyGVRCGKAASZIPMY-GRYCIOLGSA-N
MW199.34 g/mol
LogP2.42
Rot. Bonds4

About 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine

2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine (PubChem CID 125486818) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine.

Molecular Properties

Compound Name2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine
PubChem CID125486818
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine
SMILESCC(C)[C@@H]1[C@H](C)CCC[C@@H]1OCCN
InChIInChI=1S/C12H25NO/c1-9(2)12-10(3)5-4-6-11(12)14-8-7-13/h9-12H,4-8,13H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyGVRCGKAASZIPMY-GRYCIOLGSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
The IUPAC name of 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine (CID 125486818) is 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine.
What is the SMILES notation for 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
The canonical SMILES for 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine is CC(C)[C@@H]1[C@H](C)CCC[C@@H]1OCCN.
What is the InChIKey of 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
The InChIKey is GVRCGKAASZIPMY-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12-10(3)5-4-6-11(12)14-8-7-13/h9-12H,4-8,13H2,1-3H3/t10-,11+,12-/m1/s1.
What are the key properties of 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine?
2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine is sourced from PubChem (CID 125486818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).