2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide

C4H11N3O — CID 163611303

IUPAC2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide
SMILES[H]/N=C(\N)CN[C@H](C)O
InChIInChI=1S/C4H11N3O/c1-3(8)7-2-4(5)6/h3,7-8H,2H2,1H3,(H3,5,6)/t3-/m0/s1
InChIKeyHGDJLEFBSSEGSR-VKHMYHEASA-N
MW117.15 g/mol
LogP-1.15
Rot. Bonds3

About 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide

2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide (PubChem CID 163611303) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide.

Molecular Properties

Compound Name2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide
PubChem CID163611303
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide
SMILES[H]/N=C(\N)CN[C@H](C)O
InChIInChI=1S/C4H11N3O/c1-3(8)7-2-4(5)6/h3,7-8H,2H2,1H3,(H3,5,6)/t3-/m0/s1
InChIKeyHGDJLEFBSSEGSR-VKHMYHEASA-N
XLogP-1.15
TPSA82.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide?
The IUPAC name of 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide (CID 163611303) is 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide.
What is the SMILES notation for 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide?
The canonical SMILES for 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide is [H]/N=C(\N)CN[C@H](C)O.
What is the InChIKey of 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide?
The InChIKey is HGDJLEFBSSEGSR-VKHMYHEASA-N. The full InChI is InChI=1S/C4H11N3O/c1-3(8)7-2-4(5)6/h3,7-8H,2H2,1H3,(H3,5,6)/t3-/m0/s1.
What are the key properties of 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide?
2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide has a molecular weight of 117.15 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-hydroxyethyl]amino]ethanimidamide is sourced from PubChem (CID 163611303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).