(2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

C17H32N2O2 — CID 124829911

IUPAC(2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCC1=CCC[C@H](C)[C@H]1CN(C)C[C@@H](O)CN1CCOCC1
InChIInChI=1S/C17H32N2O2/c1-14-5-4-6-15(2)17(14)13-18(3)11-16(20)12-19-7-9-21-10-8-19/h5,15-17,20H,4,6-13H2,1-3H3/t15-,16+,17-/m0/s1
InChIKeySLFDQKPTHQTVGG-BBWFWOEESA-N
MW296.46 g/mol
LogP1.60
Rot. Bonds6

About (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 124829911) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID124829911
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCC1=CCC[C@H](C)[C@H]1CN(C)C[C@@H](O)CN1CCOCC1
InChIInChI=1S/C17H32N2O2/c1-14-5-4-6-15(2)17(14)13-18(3)11-16(20)12-19-7-9-21-10-8-19/h5,15-17,20H,4,6-13H2,1-3H3/t15-,16+,17-/m0/s1
InChIKeySLFDQKPTHQTVGG-BBWFWOEESA-N
XLogP1.60
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 124829911) is (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is CC1=CCC[C@H](C)[C@H]1CN(C)C[C@@H](O)CN1CCOCC1.
What is the InChIKey of (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is SLFDQKPTHQTVGG-BBWFWOEESA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14-5-4-6-15(2)17(14)13-18(3)11-16(20)12-19-7-9-21-10-8-19/h5,15-17,20H,4,6-13H2,1-3H3/t15-,16+,17-/m0/s1.
What are the key properties of (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 296.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 124829911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).