N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide

C8H17N5O — CID 72699403

IUPACN'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCOCC1)N(C)C
InChIInChI=1S/C8H17N5O/c1-12(2)7(9)11-8(10)13-3-5-14-6-4-13/h3-6H2,1-2H3,(H3,9,10,11)
InChIKeySZVSHWYRXRURFC-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.87
Rot. Bonds

About N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide

N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide (PubChem CID 72699403) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide
PubChem CID72699403
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC NameN'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCOCC1)N(C)C
InChIInChI=1S/C8H17N5O/c1-12(2)7(9)11-8(10)13-3-5-14-6-4-13/h3-6H2,1-2H3,(H3,9,10,11)
InChIKeySZVSHWYRXRURFC-UHFFFAOYSA-N
XLogP-0.87
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
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

Moroxydine
CID 71655
Moroxydine hydrochloride
CID 76621
Morpholine-4-carboximidamide Hydroiodide
CID 2778396
Moroxydine (hydrochloride)
CID 137345966
N'-carbamimidoylmorpholine-4-carboximidamide
CID 137345967
Morpholinoamidine
CID 205053
Morpholine-4-carboximidamide Hydrobromide
CID 2806564
N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride
CID 137704772
Morpholine-4-carboximidamide hydrochloride
CID 12427952
Bioxin
CID 45357081
N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride
CID 46863995
N'-carbamimidoylmorpholine-4-carboximidamide
CID 135742562

Frequently Asked Questions

What is the IUPAC name of N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide (CID 72699403) is N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide is [H]/N=C(/N=C(\N)N1CCOCC1)N(C)C.
What is the InChIKey of N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide?
The InChIKey is SZVSHWYRXRURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-12(2)7(9)11-8(10)13-3-5-14-6-4-13/h3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide?
N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide has a molecular weight of 199.26 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide is sourced from PubChem (CID 72699403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).