N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride

C6H14ClN5O — CID 46863995

IUPACN-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride
SMILES[Cl-].[H+].[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
InChIKeyFXYZDFSNBBOHTA-UHFFFAOYSA-N
MW207.66 g/mol
LogP-4.36
Rot. Bonds

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

N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride (PubChem CID 46863995) has the molecular formula C6H14ClN5O and a molecular weight of 207.66 g/mol. Its IUPAC name is N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride.

Molecular Properties

Compound NameN-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride
PubChem CID46863995
Molecular FormulaC6H14ClN5O
Molecular Weight207.66 g/mol
Exact Mass207.09
IUPAC NameN-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride
SMILES[Cl-].[H+].[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
InChIKeyFXYZDFSNBBOHTA-UHFFFAOYSA-N
XLogP-4.36
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-4.36
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;hydron;chloride?
The IUPAC name of N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride (CID 46863995) is N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride.
What is the SMILES notation for N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride?
The canonical SMILES for N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride is [Cl-].[H+].[H]/N=C(\N=C(N)N)N1CCOCC1.
What is the InChIKey of N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride?
The InChIKey is FXYZDFSNBBOHTA-UHFFFAOYSA-N. 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.
What are the key properties of N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride?
N-(diaminomethylidene)morpholine-4-carboximidamide;hydron;chloride has a molecular weight of 207.66 g/mol, XLogP of -4.36, 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;hydron;chloride is sourced from PubChem (CID 46863995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).