1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol

C14H26N2O2 — CID 71859848

IUPAC1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)C1C=CCCC1
InChIInChI=1S/C14H26N2O2/c1-15(13-5-3-2-4-6-13)11-14(17)12-16-7-9-18-10-8-16/h3,5,13-14,17H,2,4,6-12H2,1H3
InChIKeyIIOAIGRWBMVIIN-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.72
Rot. Bonds5

About 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol

1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 71859848) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID71859848
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)C1C=CCCC1
InChIInChI=1S/C14H26N2O2/c1-15(13-5-3-2-4-6-13)11-14(17)12-16-7-9-18-10-8-16/h3,5,13-14,17H,2,4,6-12H2,1H3
InChIKeyIIOAIGRWBMVIIN-UHFFFAOYSA-N
XLogP0.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.72
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 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol (CID 71859848) is 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol is CN(CC(O)CN1CCOCC1)C1C=CCCC1.
What is the InChIKey of 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is IIOAIGRWBMVIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(13-5-3-2-4-6-13)11-14(17)12-16-7-9-18-10-8-16/h3,5,13-14,17H,2,4,6-12H2,1H3.
What are the key properties of 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohex-2-en-1-yl(methyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 71859848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).