(3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide

C9H17N3O — CID 139406105

IUPAC(3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide
SMILESC=N/C(=N\CC)N1CCOC[C@H]1C
InChIInChI=1S/C9H17N3O/c1-4-11-9(10-3)12-5-6-13-7-8(12)2/h8H,3-7H2,1-2H3/b11-9+/t8-/m1/s1
InChIKeyAUSKFMMVDKMOFP-ITCPUHJZSA-N
MW183.25 g/mol
LogP0.78
Rot. Bonds1

About (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide

(3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide (PubChem CID 139406105) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide.

Molecular Properties

Compound Name(3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide
PubChem CID139406105
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide
SMILESC=N/C(=N\CC)N1CCOC[C@H]1C
InChIInChI=1S/C9H17N3O/c1-4-11-9(10-3)12-5-6-13-7-8(12)2/h8H,3-7H2,1-2H3/b11-9+/t8-/m1/s1
InChIKeyAUSKFMMVDKMOFP-ITCPUHJZSA-N
XLogP0.78
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.78
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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Related Compounds

(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide
CID 12008360
Methanimine, 1-(4-morpholino), N-butyl
CID 523948
Methanimine, 1-(4-morpholino), N-isobutyl
CID 523951
Methanimine, 1-(4-morpholino), N-pentyl
CID 523952
Methanimine, 1-(4-morpholino)-N-propyl
CID 523955
N,N'-di(propan-2-yl)morpholine-4-carboximidamide
CID 14423434
4-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)morpholine
CID 21392985
N'-(N'-cyclopropylcarbamimidoyl)morpholine-4-carboximidamide
CID 54286974
1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine
CID 57132672
N'-propan-2-ylmorpholine-4-carboximidamide
CID 57837435
N-tert-butyl-1-morpholin-4-ylmethanimine
CID 58320199
4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine
CID 59325846

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide?
The IUPAC name of (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide (CID 139406105) is (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide.
What is the SMILES notation for (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide?
The canonical SMILES for (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide is C=N/C(=N\CC)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide?
The InChIKey is AUSKFMMVDKMOFP-ITCPUHJZSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-11-9(10-3)12-5-6-13-7-8(12)2/h8H,3-7H2,1-2H3/b11-9+/t8-/m1/s1.
What are the key properties of (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide?
(3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide has a molecular weight of 183.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-ethyl-3-methyl-N-methylidenemorpholine-4-carboximidamide is sourced from PubChem (CID 139406105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).