[[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol

C14H26N2O2 — CID 71080618

IUPAC[[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol
SMILESCC1=CC(N2CC(C)OC(C)C2)CCC1NCO
InChIInChI=1S/C14H26N2O2/c1-10-6-13(4-5-14(10)15-9-17)16-7-11(2)18-12(3)8-16/h6,11-15,17H,4-5,7-9H2,1-3H3
InChIKeyYHQDIHQHLCUIPD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.11
Rot. Bonds3

About [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol

[[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol (PubChem CID 71080618) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol.

Molecular Properties

Compound Name[[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol
PubChem CID71080618
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol
SMILESCC1=CC(N2CC(C)OC(C)C2)CCC1NCO
InChIInChI=1S/C14H26N2O2/c1-10-6-13(4-5-14(10)15-9-17)16-7-11(2)18-12(3)8-16/h6,11-15,17H,4-5,7-9H2,1-3H3
InChIKeyYHQDIHQHLCUIPD-UHFFFAOYSA-N
XLogP1.11
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol?
The IUPAC name of [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol (CID 71080618) is [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol.
What is the SMILES notation for [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol?
The canonical SMILES for [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol is CC1=CC(N2CC(C)OC(C)C2)CCC1NCO.
What is the InChIKey of [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol?
The InChIKey is YHQDIHQHLCUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-6-13(4-5-14(10)15-9-17)16-7-11(2)18-12(3)8-16/h6,11-15,17H,4-5,7-9H2,1-3H3.
What are the key properties of [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol?
[[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol has a molecular weight of 254.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohex-2-en-1-yl]amino]methanol is sourced from PubChem (CID 71080618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).