(3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide

C8H15N3O — CID 139406102

IUPAC(3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide
SMILESC=N/C(=N\C)N1CCOC[C@H]1C
InChIInChI=1S/C8H15N3O/c1-7-6-12-5-4-11(7)8(9-2)10-3/h7H,2,4-6H2,1,3H3/b10-8+/t7-/m1/s1
InChIKeyJMAOVGXUFVUYSK-PLVWVKTPSA-N
MW169.23 g/mol
LogP0.39
Rot. Bonds

About (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide

(3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide (PubChem CID 139406102) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide.

Molecular Properties

Compound Name(3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide
PubChem CID139406102
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide
SMILESC=N/C(=N\C)N1CCOC[C@H]1C
InChIInChI=1S/C8H15N3O/c1-7-6-12-5-4-11(7)8(9-2)10-3/h7H,2,4-6H2,1,3H3/b10-8+/t7-/m1/s1
InChIKeyJMAOVGXUFVUYSK-PLVWVKTPSA-N
XLogP0.39
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.39
H-Bond Donors ≤ 50
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 (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide?
The IUPAC name of (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide (CID 139406102) is (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide.
What is the SMILES notation for (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide?
The canonical SMILES for (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide is C=N/C(=N\C)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide?
The InChIKey is JMAOVGXUFVUYSK-PLVWVKTPSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-6-12-5-4-11(7)8(9-2)10-3/h7H,2,4-6H2,1,3H3/b10-8+/t7-/m1/s1.
What are the key properties of (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide?
(3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N',3-dimethyl-N-methylidenemorpholine-4-carboximidamide is sourced from PubChem (CID 139406102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).