trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine

C11H22N2O — CID 67785088

IUPACtrans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@H]1C1CNCCO1
InChIInChI=1S/C11H22N2O/c1-12-10-5-3-2-4-9(10)11-8-13-6-7-14-11/h9-13H,2-8H2,1H3/t9-,10-,11?/m1/s1
InChIKeyXRPGFFFHTSOETC-DIOIDXFWSA-N
MW198.31 g/mol
LogP0.75
Rot. Bonds2

About trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine

trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine (PubChem CID 67785088) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine
PubChem CID67785088
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nametrans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@H]1C1CNCCO1
InChIInChI=1S/C11H22N2O/c1-12-10-5-3-2-4-9(10)11-8-13-6-7-14-11/h9-13H,2-8H2,1H3/t9-,10-,11?/m1/s1
InChIKeyXRPGFFFHTSOETC-DIOIDXFWSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine (CID 67785088) is trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine is CN[C@@H]1CCCC[C@H]1C1CNCCO1.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine?
The InChIKey is XRPGFFFHTSOETC-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-10-5-3-2-4-9(10)11-8-13-6-7-14-11/h9-13H,2-8H2,1H3/t9-,10-,11?/m1/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine?
trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-morpholin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 67785088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).