ethane;N'-methylmorpholine-4-carboximidamide

C8H19N3O — CID 142863710

IUPACethane;N'-methylmorpholine-4-carboximidamide
SMILESC/N=C(\N)N1CCOCC1.CC
InChIInChI=1S/C6H13N3O.C2H6/c1-8-6(7)9-2-4-10-5-3-9;1-2/h2-5H2,1H3,(H2,7,8);1-2H3
InChIKeyDDJULHRSRGFCQJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.29
Rot. Bonds

About ethane;N'-methylmorpholine-4-carboximidamide

ethane;N'-methylmorpholine-4-carboximidamide (PubChem CID 142863710) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;N'-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound Nameethane;N'-methylmorpholine-4-carboximidamide
PubChem CID142863710
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Nameethane;N'-methylmorpholine-4-carboximidamide
SMILESC/N=C(\N)N1CCOCC1.CC
InChIInChI=1S/C6H13N3O.C2H6/c1-8-6(7)9-2-4-10-5-3-9;1-2/h2-5H2,1H3,(H2,7,8);1-2H3
InChIKeyDDJULHRSRGFCQJ-UHFFFAOYSA-N
XLogP0.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.29
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'}

Analyze ethane;N'-methylmorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Moroxydine
CID 71655
Moroxydine hydrochloride
CID 76621
Moroxydine (hydrochloride)
CID 137345966
N'-carbamimidoylmorpholine-4-carboximidamide
CID 137345967
Morpholinoamidine
CID 205053
N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride
CID 137704772
Bioxin
CID 45357081
N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride
CID 46863995
N'-carbamimidoylmorpholine-4-carboximidamide
CID 135742562
N'-carbamimidoylmorpholine-4-carboximidamide;hydron;chloride
CID 173046992
(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide
CID 12008360
4-(2,6-dimethoxy-3-methyl-2H-1,3,5-triazin-4-yl)morpholine
CID 90931072

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methylmorpholine-4-carboximidamide?
The IUPAC name of ethane;N'-methylmorpholine-4-carboximidamide (CID 142863710) is ethane;N'-methylmorpholine-4-carboximidamide.
What is the SMILES notation for ethane;N'-methylmorpholine-4-carboximidamide?
The canonical SMILES for ethane;N'-methylmorpholine-4-carboximidamide is C/N=C(\N)N1CCOCC1.CC.
What is the InChIKey of ethane;N'-methylmorpholine-4-carboximidamide?
The InChIKey is DDJULHRSRGFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O.C2H6/c1-8-6(7)9-2-4-10-5-3-9;1-2/h2-5H2,1H3,(H2,7,8);1-2H3.
What are the key properties of ethane;N'-methylmorpholine-4-carboximidamide?
ethane;N'-methylmorpholine-4-carboximidamide has a molecular weight of 173.26 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 142863710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).