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

C7H17N3O — CID 60961695

IUPAC3-[2-hydroxyethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCO
InChIInChI=1S/C7H17N3O/c1-6(5-7(8)9)10(2)3-4-11/h6,11H,3-5H2,1-2H3,(H3,8,9)
InChIKeySVOITTLARJUHNW-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.37
Rot. Bonds5

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

3-[2-hydroxyethyl(methyl)amino]butanimidamide (PubChem CID 60961695) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]butanimidamide
PubChem CID60961695
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-[2-hydroxyethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCO
InChIInChI=1S/C7H17N3O/c1-6(5-7(8)9)10(2)3-4-11/h6,11H,3-5H2,1-2H3,(H3,8,9)
InChIKeySVOITTLARJUHNW-UHFFFAOYSA-N
XLogP-0.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.37
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-[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
2-[2-Hydroxyethyl(propyl)amino]ethanimidamide
CID 61424990
3-(Diethylamino)-3-hydroxypropanimidamide
CID 91136049
3-[Bis(2-hydroxyethyl)amino]propanimidamide
CID 34178668
3-[Bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride
CID 42614583
3-[Cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
N'-hydroxy-3-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
CID 54994609
3-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 60914347
N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 60960897

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]butanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]butanimidamide (CID 60961695) is 3-[2-hydroxyethyl(methyl)amino]butanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]butanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CCO.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]butanimidamide?
The InChIKey is SVOITTLARJUHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(5-7(8)9)10(2)3-4-11/h6,11H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]butanimidamide?
3-[2-hydroxyethyl(methyl)amino]butanimidamide has a molecular weight of 159.23 g/mol, XLogP of -0.37, 5 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]butanimidamide is sourced from PubChem (CID 60961695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).