2-[2-hydroxyethyl(methyl)amino]ethanimidamide

C5H13N3O — CID 60961419

IUPAC2-[2-hydroxyethyl(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CCO
InChIInChI=1S/C5H13N3O/c1-8(2-3-9)4-5(6)7/h9H,2-4H2,1H3,(H3,6,7)
InChIKeyGTGXWVWUUQLMCH-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.15
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)amino]ethanimidamide

2-[2-hydroxyethyl(methyl)amino]ethanimidamide (PubChem CID 60961419) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethanimidamide
PubChem CID60961419
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CCO
InChIInChI=1S/C5H13N3O/c1-8(2-3-9)4-5(6)7/h9H,2-4H2,1H3,(H3,6,7)
InChIKeyGTGXWVWUUQLMCH-UHFFFAOYSA-N
XLogP-1.15
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.15
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

2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]ethanimidamide
CID 107480257
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 107480284
N-(2-hydroxyethyl)-N-methylethanimidamide
CID 59020976
2-[2-Hydroxyethyl(propyl)amino]ethanimidamide
CID 61424990
N-ethyl-2-hydroxy-N-methylethanimidamide
CID 91213407
N,N-bis(2-hydroxyethyl)ethanimidamide
CID 123694364
2-(Dimethylamino)-2-hydroxyethanimidamide
CID 150408669
2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide
CID 163611303
N'-[2-(2-hydroxyethylamino)ethyl]ethanimidamide
CID 174446010
6-amino-4-methyl-3,5-dihydro-2H-pyrazin-3-ol;hydrochloride
CID 174472641
1-Aminoethylidene-(2-hydroxyethyl)-methylazanium
CID 44145384
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide
CID 60702231

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanimidamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanimidamide (CID 60961419) is 2-[2-hydroxyethyl(methyl)amino]ethanimidamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethanimidamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethanimidamide?
The InChIKey is GTGXWVWUUQLMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-8(2-3-9)4-5(6)7/h9H,2-4H2,1H3,(H3,6,7).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethanimidamide?
2-[2-hydroxyethyl(methyl)amino]ethanimidamide has a molecular weight of 131.18 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethanimidamide is sourced from PubChem (CID 60961419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).