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

C8H19N3O2 — CID 61233573

IUPAC4-[bis(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCO)CCO
InChIInChI=1S/C8H19N3O2/c9-8(10)2-1-3-11(4-6-12)5-7-13/h12-13H,1-7H2,(H3,9,10)
InChIKeyBBIWZSRSTWPYLQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.01
Rot. Bonds8

About 4-[bis(2-hydroxyethyl)amino]butanimidamide

4-[bis(2-hydroxyethyl)amino]butanimidamide (PubChem CID 61233573) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]butanimidamide
PubChem CID61233573
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name4-[bis(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCO)CCO
InChIInChI=1S/C8H19N3O2/c9-8(10)2-1-3-11(4-6-12)5-7-13/h12-13H,1-7H2,(H3,9,10)
InChIKeyBBIWZSRSTWPYLQ-UHFFFAOYSA-N
XLogP-1.01
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
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 4-[bis(2-hydroxyethyl)amino]butanimidamide?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]butanimidamide (CID 61233573) is 4-[bis(2-hydroxyethyl)amino]butanimidamide.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]butanimidamide?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(CCO)CCO.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]butanimidamide?
The InChIKey is BBIWZSRSTWPYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c9-8(10)2-1-3-11(4-6-12)5-7-13/h12-13H,1-7H2,(H3,9,10).
What are the key properties of 4-[bis(2-hydroxyethyl)amino]butanimidamide?
4-[bis(2-hydroxyethyl)amino]butanimidamide has a molecular weight of 189.26 g/mol, XLogP of -1.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]butanimidamide is sourced from PubChem (CID 61233573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).