ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine

C13H29N3O — CID 176964337

IUPACethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine
SMILESCC.CNC(C)(N1CCCC1)N1CCOCC1
InChIInChI=1S/C11H23N3O.C2H6/c1-11(12-2,13-5-3-4-6-13)14-7-9-15-10-8-14;1-2/h12H,3-10H2,1-2H3;1-2H3
InChIKeyXFKILSCMHOVZJS-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.33
Rot. Bonds3

About ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine

ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine (PubChem CID 176964337) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine
PubChem CID176964337
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Nameethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine
SMILESCC.CNC(C)(N1CCCC1)N1CCOCC1
InChIInChI=1S/C11H23N3O.C2H6/c1-11(12-2,13-5-3-4-6-13)14-7-9-15-10-8-14;1-2/h12H,3-10H2,1-2H3;1-2H3
InChIKeyXFKILSCMHOVZJS-UHFFFAOYSA-N
XLogP1.33
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine?
The IUPAC name of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine (CID 176964337) is ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine.
What is the SMILES notation for ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine?
The canonical SMILES for ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine is CC.CNC(C)(N1CCCC1)N1CCOCC1.
What is the InChIKey of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine?
The InChIKey is XFKILSCMHOVZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C2H6/c1-11(12-2,13-5-3-4-6-13)14-7-9-15-10-8-14;1-2/h12H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine?
ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine has a molecular weight of 243.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 176964337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).