[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone

C12H23N3O2 — CID 115315156

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone
SMILESCC(N)C1CN(C(=O)C2CCN(C)C2)CCO1
InChIInChI=1S/C12H23N3O2/c1-9(13)11-8-15(5-6-17-11)12(16)10-3-4-14(2)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyKAFPMKIHWCTIFF-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.49
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 115315156) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone
PubChem CID115315156
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone
SMILESCC(N)C1CN(C(=O)C2CCN(C)C2)CCO1
InChIInChI=1S/C12H23N3O2/c1-9(13)11-8-15(5-6-17-11)12(16)10-3-4-14(2)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyKAFPMKIHWCTIFF-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone (CID 115315156) is [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone is CC(N)C1CN(C(=O)C2CCN(C)C2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is KAFPMKIHWCTIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(13)11-8-15(5-6-17-11)12(16)10-3-4-14(2)7-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 115315156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).