N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride

C8H18ClN5O — CID 176525399

IUPACN-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N(C)C)N1CCOCC1
InChIInChI=1S/C8H17N5O.ClH/c1-12(2)7(9)11-8(10)13-3-5-14-6-4-13;/h3-6H2,1-2H3,(H3,9,10,11);1H
InChIKeyQLGLXRXQXLKZCL-UHFFFAOYSA-N
MW235.72 g/mol
LogP-0.45
Rot. Bonds

About N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride

N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride (PubChem CID 176525399) has the molecular formula C8H18ClN5O and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride
PubChem CID176525399
Molecular FormulaC8H18ClN5O
Molecular Weight235.72 g/mol
Exact Mass235.12
IUPAC NameN-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N(C)C)N1CCOCC1
InChIInChI=1S/C8H17N5O.ClH/c1-12(2)7(9)11-8(10)13-3-5-14-6-4-13;/h3-6H2,1-2H3,(H3,9,10,11);1H
InChIKeyQLGLXRXQXLKZCL-UHFFFAOYSA-N
XLogP-0.45
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride?
The IUPAC name of N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride (CID 176525399) is N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N=C(N)N(C)C)N1CCOCC1.
What is the InChIKey of N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride?
The InChIKey is QLGLXRXQXLKZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O.ClH/c1-12(2)7(9)11-8(10)13-3-5-14-6-4-13;/h3-6H2,1-2H3,(H3,9,10,11);1H.
What are the key properties of N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride?
N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride has a molecular weight of 235.72 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 176525399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).