(4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine

C12H23N3O — CID 79663852

IUPAC(4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/C1CN(C(C)C)CCO1)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10(2)15-7-8-16-11(9-15)12(13)14-5-3-4-6-14/h10-11,13H,3-9H2,1-2H3/b13-12-
InChIKeyCNOQCGVKWKSYBK-SEYXRHQNSA-N
MW225.34 g/mol
LogP1.17
Rot. Bonds2

About (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine

(4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine (PubChem CID 79663852) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine
PubChem CID79663852
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/C1CN(C(C)C)CCO1)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10(2)15-7-8-16-11(9-15)12(13)14-5-3-4-6-14/h10-11,13H,3-9H2,1-2H3/b13-12-
InChIKeyCNOQCGVKWKSYBK-SEYXRHQNSA-N
XLogP1.17
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine (CID 79663852) is (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine is [H]/N=C(/C1CN(C(C)C)CCO1)N1CCCC1.
What is the InChIKey of (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine?
The InChIKey is CNOQCGVKWKSYBK-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)15-7-8-16-11(9-15)12(13)14-5-3-4-6-14/h10-11,13H,3-9H2,1-2H3/b13-12-.
What are the key properties of (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine?
(4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine has a molecular weight of 225.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 79663852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).