(3R)-N',3-dimethylmorpholine-4-carboximidamide

C7H15N3O — CID 139406106

IUPAC(3R)-N',3-dimethylmorpholine-4-carboximidamide
SMILESC/N=C(\N)N1CCOC[C@H]1C
InChIInChI=1S/C7H15N3O/c1-6-5-11-4-3-10(6)7(8)9-2/h6H,3-5H2,1-2H3,(H2,8,9)/t6-/m1/s1
InChIKeyFXDGVIWVJYVWDQ-ZCFIWIBFSA-N
MW157.22 g/mol
LogP-0.35
Rot. Bonds

About (3R)-N',3-dimethylmorpholine-4-carboximidamide

(3R)-N',3-dimethylmorpholine-4-carboximidamide (PubChem CID 139406106) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (3R)-N',3-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(3R)-N',3-dimethylmorpholine-4-carboximidamide
PubChem CID139406106
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(3R)-N',3-dimethylmorpholine-4-carboximidamide
SMILESC/N=C(\N)N1CCOC[C@H]1C
InChIInChI=1S/C7H15N3O/c1-6-5-11-4-3-10(6)7(8)9-2/h6H,3-5H2,1-2H3,(H2,8,9)/t6-/m1/s1
InChIKeyFXDGVIWVJYVWDQ-ZCFIWIBFSA-N
XLogP-0.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.35
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 (3R)-N',3-dimethylmorpholine-4-carboximidamide?
The IUPAC name of (3R)-N',3-dimethylmorpholine-4-carboximidamide (CID 139406106) is (3R)-N',3-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for (3R)-N',3-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for (3R)-N',3-dimethylmorpholine-4-carboximidamide is C/N=C(\N)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-N',3-dimethylmorpholine-4-carboximidamide?
The InChIKey is FXDGVIWVJYVWDQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6-5-11-4-3-10(6)7(8)9-2/h6H,3-5H2,1-2H3,(H2,8,9)/t6-/m1/s1.
What are the key properties of (3R)-N',3-dimethylmorpholine-4-carboximidamide?
(3R)-N',3-dimethylmorpholine-4-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N',3-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 139406106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).