3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide

C8H19N3O — CID 60980766

IUPAC3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCO
InChIInChI=1S/C8H19N3O/c1-3-11(4-5-12)6-7(2)8(9)10/h7,12H,3-6H2,1-2H3,(H3,9,10)
InChIKeyFLVPRPNVDUHYSP-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.13
Rot. Bonds6

About 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide

3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide (PubChem CID 60980766) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
PubChem CID60980766
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCO
InChIInChI=1S/C8H19N3O/c1-3-11(4-5-12)6-7(2)8(9)10/h7,12H,3-6H2,1-2H3,(H3,9,10)
InChIKeyFLVPRPNVDUHYSP-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
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'}

Analyze 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103370599
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
2-[[Bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370608
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanimidamide
CID 103370659
3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103370662
3,3,3-Trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
CID 103370707
3,3,3-Trifluoro-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370821
3,3,3-Trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide
CID 103370822
3,3,3-Trifluoro-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]propanimidamide
CID 103370824
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
CID 107480271
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 107480299

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide (CID 60980766) is 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CCO.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide?
The InChIKey is FLVPRPNVDUHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-11(4-5-12)6-7(2)8(9)10/h7,12H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide?
3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide has a molecular weight of 173.26 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 60980766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).