trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine

C13H26N2O — CID 784557

IUPACtrans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
SMILESC[C@@H]1CCC[C@@H](NCCN2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-12-3-2-4-13(11-12)14-5-6-15-7-9-16-10-8-15/h12-14H,2-11H2,1H3/t12-,13-/m1/s1
InChIKeyOLZAXJVRHIMHKT-CHWSQXEVSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine

trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine (PubChem CID 784557) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
PubChem CID784557
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nametrans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
SMILESC[C@@H]1CCC[C@@H](NCCN2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-12-3-2-4-13(11-12)14-5-6-15-7-9-16-10-8-15/h12-14H,2-11H2,1H3/t12-,13-/m1/s1
InChIKeyOLZAXJVRHIMHKT-CHWSQXEVSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine (CID 784557) is trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine is C[C@@H]1CCC[C@@H](NCCN2CCOCC2)C1.
What is the InChIKey of trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
The InChIKey is OLZAXJVRHIMHKT-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12-3-2-4-13(11-12)14-5-6-15-7-9-16-10-8-15/h12-14H,2-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 784557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).