3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride

C8H18ClN5O — CID 140830970

IUPAC3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(/C1COCCN1/C(N)=N/[H])N(C)C
InChIInChI=1S/C8H17N5O.ClH/c1-12(2)7(9)6-5-14-4-3-13(6)8(10)11;/h6,9H,3-5H2,1-2H3,(H3,10,11);1H/b9-7-;
InChIKeyXZHPSQHNMRRCAO-VILQZVERSA-N
MW235.72 g/mol
LogP-0.46
Rot. Bonds1

About 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride

3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride (PubChem CID 140830970) has the molecular formula C8H18ClN5O and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride
PubChem CID140830970
Molecular FormulaC8H18ClN5O
Molecular Weight235.72 g/mol
Exact Mass235.12
IUPAC Name3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(/C1COCCN1/C(N)=N/[H])N(C)C
InChIInChI=1S/C8H17N5O.ClH/c1-12(2)7(9)6-5-14-4-3-13(6)8(10)11;/h6,9H,3-5H2,1-2H3,(H3,10,11);1H/b9-7-;
InChIKeyXZHPSQHNMRRCAO-VILQZVERSA-N
XLogP-0.46
TPSA89.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride?
The IUPAC name of 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride (CID 140830970) is 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride.
What is the SMILES notation for 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride?
The canonical SMILES for 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride is Cl.[H]/N=C(/C1COCCN1/C(N)=N/[H])N(C)C.
What is the InChIKey of 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride?
The InChIKey is XZHPSQHNMRRCAO-VILQZVERSA-N. The full InChI is InChI=1S/C8H17N5O.ClH/c1-12(2)7(9)6-5-14-4-3-13(6)8(10)11;/h6,9H,3-5H2,1-2H3,(H3,10,11);1H/b9-7-;.
What are the key properties of 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride?
3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride has a molecular weight of 235.72 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethylmorpholine-3,4-dicarboximidamide;hydrochloride is sourced from PubChem (CID 140830970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).