ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine

C11H23N3O — CID 177369366

IUPACethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine
SMILESCC.[H]/N=C(\N1CCCC1)N1CCOCC1
InChIInChI=1S/C9H17N3O.C2H6/c10-9(11-3-1-2-4-11)12-5-7-13-8-6-12;1-2/h10H,1-8H2;1-2H3/b10-9+;
InChIKeyLEHMPSJXUAFLOK-RRABGKBLSA-N
MW213.32 g/mol
LogP1.38
Rot. Bonds

About ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine

ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine (PubChem CID 177369366) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine.

Molecular Properties

Compound Nameethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine
PubChem CID177369366
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Nameethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine
SMILESCC.[H]/N=C(\N1CCCC1)N1CCOCC1
InChIInChI=1S/C9H17N3O.C2H6/c10-9(11-3-1-2-4-11)12-5-7-13-8-6-12;1-2/h10H,1-8H2;1-2H3/b10-9+;
InChIKeyLEHMPSJXUAFLOK-RRABGKBLSA-N
XLogP1.38
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.38
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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Related Compounds

4-(1-Pyrrolidin-1-ylpropyl)morpholine
CID 20504827
N,N-diethylmorpholine-4-carboximidamide
CID 90350361
N,N-dimethylmorpholine-4-carboximidamide;ethane
CID 145053354
Pyrrolidin-1-yl morpholine-4-carboximidothioate
CID 146817389
4-Methyl-3-pyrrolidin-1-ylmorpholine
CID 150697018
4-Butyl-3-pyrrolidin-1-ylmorpholine
CID 153971753
ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
CID 163296307
N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
CID 163296308
N-tert-butyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
CID 168820001
1-morpholin-4-yl-N-propan-2-yl-1-pyrrolidin-1-ylmethanimine
CID 169963498
N-[amino(pyrrolidin-1-yl)methylidene]morpholine-4-carboximidamide
CID 173898165
4-(1-Methylpyrrolidin-2-yl)morpholine
CID 175981907

Frequently Asked Questions

What is the IUPAC name of ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine?
The IUPAC name of ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine (CID 177369366) is ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine.
What is the SMILES notation for ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine?
The canonical SMILES for ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine is CC.[H]/N=C(\N1CCCC1)N1CCOCC1.
What is the InChIKey of ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine?
The InChIKey is LEHMPSJXUAFLOK-RRABGKBLSA-N. The full InChI is InChI=1S/C9H17N3O.C2H6/c10-9(11-3-1-2-4-11)12-5-7-13-8-6-12;1-2/h10H,1-8H2;1-2H3/b10-9+;.
What are the key properties of ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine?
ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine has a molecular weight of 213.32 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine is sourced from PubChem (CID 177369366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).