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

C8H19N3O — CID 60980632

IUPAC4-[ethyl(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CC)CCO
InChIInChI=1S/C8H19N3O/c1-2-11(6-7-12)5-3-4-8(9)10/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyCPFCYSMSTUXNDU-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.02
Rot. Bonds7

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

4-[ethyl(2-hydroxyethyl)amino]butanimidamide (PubChem CID 60980632) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]butanimidamide
PubChem CID60980632
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CC)CCO
InChIInChI=1S/C8H19N3O/c1-2-11(6-7-12)5-3-4-8(9)10/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyCPFCYSMSTUXNDU-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480261
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanimidamide
CID 107480269
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanimidamide
CID 107480272
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480289
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480297
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480300
2-[[Butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 113808135
2-[2-Hydroxyethyl(propyl)amino]ethanimidamide
CID 61424990
3-(Diethylamino)-3-hydroxypropanimidamide
CID 91136049
N-(2-hydroxyethyl)-N-methylpropanimidamide
CID 144438001
N,N-dibutyl-2-hydroxyethanimidamide
CID 152677365
N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
CID 161343913

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]butanimidamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]butanimidamide (CID 60980632) is 4-[ethyl(2-hydroxyethyl)amino]butanimidamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]butanimidamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(CC)CCO.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]butanimidamide?
The InChIKey is CPFCYSMSTUXNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-2-11(6-7-12)5-3-4-8(9)10/h12H,2-7H2,1H3,(H3,9,10).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]butanimidamide?
4-[ethyl(2-hydroxyethyl)amino]butanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]butanimidamide is sourced from PubChem (CID 60980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).