3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide

C10H21N3O — CID 62361441

IUPAC3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCCC1COCCN1/C(N)=N/C(C)C
InChIInChI=1S/C10H21N3O/c1-4-9-7-14-6-5-13(9)10(11)12-8(2)3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyADDXNNFSYGUZQL-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds2

About 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide

3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide (PubChem CID 62361441) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide
PubChem CID62361441
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCCC1COCCN1/C(N)=N/C(C)C
InChIInChI=1S/C10H21N3O/c1-4-9-7-14-6-5-13(9)10(11)12-8(2)3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyADDXNNFSYGUZQL-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The IUPAC name of 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide (CID 62361441) is 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide.
What is the SMILES notation for 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The canonical SMILES for 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide is CCC1COCCN1/C(N)=N/C(C)C.
What is the InChIKey of 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The InChIKey is ADDXNNFSYGUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-9-7-14-6-5-13(9)10(11)12-8(2)3/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-propan-2-ylmorpholine-4-carboximidamide is sourced from PubChem (CID 62361441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).