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

C9H21N3O3 — CID 61235419

IUPAC3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CCO)CCO
InChIInChI=1S/C9H21N3O3/c1-2-8(7-9(10)11-15)12(3-5-13)4-6-14/h8,13-15H,2-7H2,1H3,(H2,10,11)
InChIKeyIDNVYHMTUURETH-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.81
Rot. Bonds8

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

3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 61235419) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID61235419
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CCO)CCO
InChIInChI=1S/C9H21N3O3/c1-2-8(7-9(10)11-15)12(3-5-13)4-6-14/h8,13-15H,2-7H2,1H3,(H2,10,11)
InChIKeyIDNVYHMTUURETH-UHFFFAOYSA-N
XLogP-0.81
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.81
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'-hydroxypentanimidamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (CID 61235419) is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is IDNVYHMTUURETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-2-8(7-9(10)11-15)12(3-5-13)4-6-14/h8,13-15H,2-7H2,1H3,(H2,10,11).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 219.28 g/mol, XLogP of -0.81, 8 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'-hydroxypentanimidamide is sourced from PubChem (CID 61235419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).