2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride

C6H14ClN5O — CID 44660312

IUPAC2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride
SMILESNC(N)=NC(N)=[N+]1CCOCC1.[Cl-]
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-5.38
Rot. Bonds

About 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride

2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride (PubChem CID 44660312) has the molecular formula C6H14ClN5O and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride.

Molecular Properties

Compound Name2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride
PubChem CID44660312
Molecular FormulaC6H14ClN5O
Molecular Weight207.66 g/mol
Exact Mass207.09
IUPAC Name2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride
SMILESNC(N)=NC(N)=[N+]1CCOCC1.[Cl-]
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-5.38
TPSA102.66 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-5.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride?
The IUPAC name of 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride (CID 44660312) is 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride.
What is the SMILES notation for 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride?
The canonical SMILES for 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride is NC(N)=NC(N)=[N+]1CCOCC1.[Cl-].
What is the InChIKey of 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine 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 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride?
2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride has a molecular weight of 207.66 g/mol, XLogP of -5.38, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride is sourced from PubChem (CID 44660312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).