cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine

C12H22N2O — CID 63176106

IUPACcyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCOC(C)(C)C1
InChIInChI=1S/C12H22N2O/c1-12(2)9-14(7-8-15-12)11(13)10-5-3-4-6-10/h10,13H,3-9H2,1-2H3/b13-11+
InChIKeyXHACTNSENYTZBG-ACCUITESSA-N
MW210.32 g/mol
LogP2.26
Rot. Bonds1

About cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine

cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine (PubChem CID 63176106) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine.

Molecular Properties

Compound Namecyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine
PubChem CID63176106
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Namecyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCOC(C)(C)C1
InChIInChI=1S/C12H22N2O/c1-12(2)9-14(7-8-15-12)11(13)10-5-3-4-6-10/h10,13H,3-9H2,1-2H3/b13-11+
InChIKeyXHACTNSENYTZBG-ACCUITESSA-N
XLogP2.26
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine?
The IUPAC name of cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine (CID 63176106) is cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine.
What is the SMILES notation for cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine?
The canonical SMILES for cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine is [H]/N=C(\C1CCCC1)N1CCOC(C)(C)C1.
What is the InChIKey of cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine?
The InChIKey is XHACTNSENYTZBG-ACCUITESSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)9-14(7-8-15-12)11(13)10-5-3-4-6-10/h10,13H,3-9H2,1-2H3/b13-11+.
What are the key properties of cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine?
cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine has a molecular weight of 210.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine is sourced from PubChem (CID 63176106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).