3-[2-hydroxyethyl(methyl)amino]pentanimidamide

C8H19N3O — CID 60961694

IUPAC3-[2-hydroxyethyl(methyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CCO
InChIInChI=1S/C8H19N3O/c1-3-7(6-8(9)10)11(2)4-5-12/h7,12H,3-6H2,1-2H3,(H3,9,10)
InChIKeyCTBQUUJZFFOLGF-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.02
Rot. Bonds6

About 3-[2-hydroxyethyl(methyl)amino]pentanimidamide

3-[2-hydroxyethyl(methyl)amino]pentanimidamide (PubChem CID 60961694) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]pentanimidamide
PubChem CID60961694
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-[2-hydroxyethyl(methyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CCO
InChIInChI=1S/C8H19N3O/c1-3-7(6-8(9)10)11(2)4-5-12/h7,12H,3-6H2,1-2H3,(H3,9,10)
InChIKeyCTBQUUJZFFOLGF-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103370662
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480153
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480178
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480259
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanimidamide
CID 107480272
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480287
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480300
3-[4-(2-Hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592134
3-[2-Methoxyethyl(3-methoxypropyl)amino]pentanimidamide
CID 54985306
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 54993984
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 54993985
3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 54994032

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]pentanimidamide (CID 60961694) is 3-[2-hydroxyethyl(methyl)amino]pentanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)CCO.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
The InChIKey is CTBQUUJZFFOLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-7(6-8(9)10)11(2)4-5-12/h7,12H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
3-[2-hydroxyethyl(methyl)amino]pentanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]pentanimidamide is sourced from PubChem (CID 60961694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).