N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide

C9H19N3O2 — CID 82506226

IUPACN-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide
SMILESCC1(C)COCCN1C(=O)NCCN
InChIInChI=1S/C9H19N3O2/c1-9(2)7-14-6-5-12(9)8(13)11-4-3-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyISGYOQQDYMSTDG-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.23
Rot. Bonds2

About N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide

N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide (PubChem CID 82506226) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide
PubChem CID82506226
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide
SMILESCC1(C)COCCN1C(=O)NCCN
InChIInChI=1S/C9H19N3O2/c1-9(2)7-14-6-5-12(9)8(13)11-4-3-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyISGYOQQDYMSTDG-UHFFFAOYSA-N
XLogP-0.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide (CID 82506226) is N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide is CC1(C)COCCN1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide?
The InChIKey is ISGYOQQDYMSTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2)7-14-6-5-12(9)8(13)11-4-3-10/h3-7,10H2,1-2H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide?
N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 82506226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).