N-(diaminomethylidene)morpholine-4-carboximidamide chloride

C6H13ClN5O- — CID 21177116

IUPACN-(diaminomethylidene)morpholine-4-carboximidamide chloride
SMILES[Cl-].[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H/p-1
InChIKeyFXYZDFSNBBOHTA-UHFFFAOYSA-M
MW206.66 g/mol
LogP-4.47
Rot. Bonds

About N-(diaminomethylidene)morpholine-4-carboximidamide chloride

N-(diaminomethylidene)morpholine-4-carboximidamide chloride (PubChem CID 21177116) has the molecular formula C6H13ClN5O- and a molecular weight of 206.66 g/mol. Its IUPAC name is N-(diaminomethylidene)morpholine-4-carboximidamide chloride.

Molecular Properties

Compound NameN-(diaminomethylidene)morpholine-4-carboximidamide chloride
PubChem CID21177116
Molecular FormulaC6H13ClN5O-
Molecular Weight206.66 g/mol
Exact Mass206.08
IUPAC NameN-(diaminomethylidene)morpholine-4-carboximidamide chloride
SMILES[Cl-].[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H/p-1
InChIKeyFXYZDFSNBBOHTA-UHFFFAOYSA-M
XLogP-4.47
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.66
LogP ≤ 5-4.47
H-Bond Donors ≤ 53
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 N-(diaminomethylidene)morpholine-4-carboximidamide chloride?
The IUPAC name of N-(diaminomethylidene)morpholine-4-carboximidamide chloride (CID 21177116) is N-(diaminomethylidene)morpholine-4-carboximidamide chloride.
What is the SMILES notation for N-(diaminomethylidene)morpholine-4-carboximidamide chloride?
The canonical SMILES for N-(diaminomethylidene)morpholine-4-carboximidamide chloride is [Cl-].[H]/N=C(\N=C(N)N)N1CCOCC1.
What is the InChIKey of N-(diaminomethylidene)morpholine-4-carboximidamide chloride?
The InChIKey is FXYZDFSNBBOHTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H/p-1.
What are the key properties of N-(diaminomethylidene)morpholine-4-carboximidamide chloride?
N-(diaminomethylidene)morpholine-4-carboximidamide chloride has a molecular weight of 206.66 g/mol, XLogP of -4.47, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)morpholine-4-carboximidamide chloride is sourced from PubChem (CID 21177116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).