(1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine

C15H28N2O — CID 70892569

IUPAC(1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine
SMILESCC1=C(C)[C@](C)(N)CCC1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N2O/c1-10-8-17(9-11(2)18-10)14-6-7-15(5,16)13(4)12(14)3/h10-11,14H,6-9,16H2,1-5H3/t10-,11+,14?,15-/m1/s1
InChIKeySXURENGSHPWLSC-VOFABYSYSA-N
MW252.40 g/mol
LogP2.31
Rot. Bonds1

About (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine

(1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine (PubChem CID 70892569) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine
PubChem CID70892569
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine
SMILESCC1=C(C)[C@](C)(N)CCC1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N2O/c1-10-8-17(9-11(2)18-10)14-6-7-15(5,16)13(4)12(14)3/h10-11,14H,6-9,16H2,1-5H3/t10-,11+,14?,15-/m1/s1
InChIKeySXURENGSHPWLSC-VOFABYSYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.31
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 (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine?
The IUPAC name of (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine (CID 70892569) is (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine.
What is the SMILES notation for (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine?
The canonical SMILES for (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine is CC1=C(C)[C@](C)(N)CCC1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine?
The InChIKey is SXURENGSHPWLSC-VOFABYSYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10-8-17(9-11(2)18-10)14-6-7-15(5,16)13(4)12(14)3/h10-11,14H,6-9,16H2,1-5H3/t10-,11+,14?,15-/m1/s1.
What are the key properties of (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine?
(1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,2,3-trimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 70892569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).