3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride

C7H19Cl2N3O2 — CID 42614583

IUPAC3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CCO)CCO
InChIInChI=1S/C7H17N3O2.2ClH/c8-7(9)1-2-10(3-5-11)4-6-12;;/h11-12H,1-6H2,(H3,8,9);2*1H
InChIKeyCQNZSZORGLGPJD-UHFFFAOYSA-N
MW248.15 g/mol
LogP-0.56
Rot. Bonds7

About 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride

3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride (PubChem CID 42614583) has the molecular formula C7H19Cl2N3O2 and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride
PubChem CID42614583
Molecular FormulaC7H19Cl2N3O2
Molecular Weight248.15 g/mol
Exact Mass247.09
IUPAC Name3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CCO)CCO
InChIInChI=1S/C7H17N3O2.2ClH/c8-7(9)1-2-10(3-5-11)4-6-12;;/h11-12H,1-6H2,(H3,8,9);2*1H
InChIKeyCQNZSZORGLGPJD-UHFFFAOYSA-N
XLogP-0.56
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride (CID 42614583) is 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride?
The InChIKey is CQNZSZORGLGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2.2ClH/c8-7(9)1-2-10(3-5-11)4-6-12;;/h11-12H,1-6H2,(H3,8,9);2*1H.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride?
3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride has a molecular weight of 248.15 g/mol, XLogP of -0.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride is sourced from PubChem (CID 42614583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).