3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

C7H17N3O3 — CID 61235417

IUPAC3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CCO)CCO)=NO
InChIInChI=1S/C7H17N3O3/c8-7(9-13)1-2-10(3-5-11)4-6-12/h11-13H,1-6H2,(H2,8,9)
InChIKeyRNHQEQVXKXEZDK-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.59
Rot. Bonds7

About 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 61235417) has the molecular formula C7H17N3O3 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID61235417
Molecular FormulaC7H17N3O3
Molecular Weight191.23 g/mol
Exact Mass191.13
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CCO)CCO)=NO
InChIInChI=1S/C7H17N3O3/c8-7(9-13)1-2-10(3-5-11)4-6-12/h11-13H,1-6H2,(H2,8,9)
InChIKeyRNHQEQVXKXEZDK-UHFFFAOYSA-N
XLogP-1.59
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 61235417) is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(CCO)CCO)=NO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is RNHQEQVXKXEZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3/c8-7(9-13)1-2-10(3-5-11)4-6-12/h11-13H,1-6H2,(H2,8,9).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 191.23 g/mol, XLogP of -1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 61235417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).