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

C7H17N3O2 — CID 34178668

IUPAC3-[bis(2-hydroxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCO)CCO
InChIInChI=1S/C7H17N3O2/c8-7(9)1-2-10(3-5-11)4-6-12/h11-12H,1-6H2,(H3,8,9)
InChIKeyBETTYUGZSWLRAK-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.40
Rot. Bonds7

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

3-[bis(2-hydroxyethyl)amino]propanimidamide (PubChem CID 34178668) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]propanimidamide
PubChem CID34178668
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name3-[bis(2-hydroxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCO)CCO
InChIInChI=1S/C7H17N3O2/c8-7(9)1-2-10(3-5-11)4-6-12/h11-12H,1-6H2,(H3,8,9)
InChIKeyBETTYUGZSWLRAK-UHFFFAOYSA-N
XLogP-1.40
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.40
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?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]propanimidamide (CID 34178668) is 3-[bis(2-hydroxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]propanimidamide?
The InChIKey is BETTYUGZSWLRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c8-7(9)1-2-10(3-5-11)4-6-12/h11-12H,1-6H2,(H3,8,9).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]propanimidamide?
3-[bis(2-hydroxyethyl)amino]propanimidamide has a molecular weight of 175.23 g/mol, XLogP of -1.40, 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 is sourced from PubChem (CID 34178668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).