N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride

C6H14ClN5O — CID 137345966

IUPACN'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\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-1.05
Rot. Bonds

About N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride

N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride (PubChem CID 137345966) has the molecular formula C6H14ClN5O and a molecular weight of 207.66 g/mol. Its IUPAC name is N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride
PubChem CID137345966
Molecular FormulaC6H14ClN5O
Molecular Weight207.66 g/mol
Exact Mass207.09
IUPAC NameN'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\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-1.05
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 ≤ 5-1.05
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'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride?
The IUPAC name of N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride (CID 137345966) is N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride?
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'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride?
N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 137345966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).