3-[bis(2-hydroxyethyl)amino]butanimidamide

C8H19N3O2 — CID 61233759

IUPAC3-[bis(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CCO)CCO
InChIInChI=1S/C8H19N3O2/c1-7(6-8(9)10)11(2-4-12)3-5-13/h7,12-13H,2-6H2,1H3,(H3,9,10)
InChIKeyCHSRZAFXNUHFOJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.01
Rot. Bonds7

About 3-[bis(2-hydroxyethyl)amino]butanimidamide

3-[bis(2-hydroxyethyl)amino]butanimidamide (PubChem CID 61233759) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]butanimidamide
PubChem CID61233759
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name3-[bis(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CCO)CCO
InChIInChI=1S/C8H19N3O2/c1-7(6-8(9)10)11(2-4-12)3-5-13/h7,12-13H,2-6H2,1H3,(H3,9,10)
InChIKeyCHSRZAFXNUHFOJ-UHFFFAOYSA-N
XLogP-1.01
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.01
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]butanimidamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]butanimidamide (CID 61233759) is 3-[bis(2-hydroxyethyl)amino]butanimidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]butanimidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]butanimidamide?
The InChIKey is CHSRZAFXNUHFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-7(6-8(9)10)11(2-4-12)3-5-13/h7,12-13H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]butanimidamide?
3-[bis(2-hydroxyethyl)amino]butanimidamide has a molecular weight of 189.26 g/mol, XLogP of -1.01, 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]butanimidamide is sourced from PubChem (CID 61233759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).