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

C8H19N3O3 — CID 61235606

IUPAC3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(CCO)CCO
InChIInChI=1S/C8H19N3O3/c1-7(6-8(9)10-14)11(2-4-12)3-5-13/h7,12-14H,2-6H2,1H3,(H2,9,10)
InChIKeyLWNVNNLEMJDNGP-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.20
Rot. Bonds7

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

3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 61235606) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID61235606
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(CCO)CCO
InChIInChI=1S/C8H19N3O3/c1-7(6-8(9)10-14)11(2-4-12)3-5-13/h7,12-14H,2-6H2,1H3,(H2,9,10)
InChIKeyLWNVNNLEMJDNGP-UHFFFAOYSA-N
XLogP-1.20
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.20
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'-hydroxybutanimidamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 61235606) is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)N(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is LWNVNNLEMJDNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-7(6-8(9)10-14)11(2-4-12)3-5-13/h7,12-14H,2-6H2,1H3,(H2,9,10).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 205.26 g/mol, XLogP of -1.20, 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'-hydroxybutanimidamide is sourced from PubChem (CID 61235606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).