2-morpholin-3-ylethanimidamide

C6H13N3O — CID 151261088

IUPAC2-morpholin-3-ylethanimidamide
SMILES[H]/N=C(\N)CC1COCCN1
InChIInChI=1S/C6H13N3O/c7-6(8)3-5-4-10-2-1-9-5/h5,9H,1-4H2,(H3,7,8)
InChIKeyNUIWOQBYYOXAAW-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.70
Rot. Bonds2

About 2-morpholin-3-ylethanimidamide

2-morpholin-3-ylethanimidamide (PubChem CID 151261088) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-morpholin-3-ylethanimidamide.

Molecular Properties

Compound Name2-morpholin-3-ylethanimidamide
PubChem CID151261088
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-morpholin-3-ylethanimidamide
SMILES[H]/N=C(\N)CC1COCCN1
InChIInChI=1S/C6H13N3O/c7-6(8)3-5-4-10-2-1-9-5/h5,9H,1-4H2,(H3,7,8)
InChIKeyNUIWOQBYYOXAAW-UHFFFAOYSA-N
XLogP-0.70
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.70
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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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-ylethanimidamide?
The IUPAC name of 2-morpholin-3-ylethanimidamide (CID 151261088) is 2-morpholin-3-ylethanimidamide.
What is the SMILES notation for 2-morpholin-3-ylethanimidamide?
The canonical SMILES for 2-morpholin-3-ylethanimidamide is [H]/N=C(\N)CC1COCCN1.
What is the InChIKey of 2-morpholin-3-ylethanimidamide?
The InChIKey is NUIWOQBYYOXAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(8)3-5-4-10-2-1-9-5/h5,9H,1-4H2,(H3,7,8).
What are the key properties of 2-morpholin-3-ylethanimidamide?
2-morpholin-3-ylethanimidamide has a molecular weight of 143.19 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-ylethanimidamide is sourced from PubChem (CID 151261088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).