N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide

C10H19N3O — CID 134603471

IUPACN-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C=C)CCN1CCOCC1
InChIInChI=1S/C10H19N3O/c1-3-13(10(2)11)5-4-12-6-8-14-9-7-12/h3,11H,1,4-9H2,2H3/b11-10+
InChIKeyVYDASVUWGNUTJN-ZHACJKMWSA-N
MW197.28 g/mol
LogP0.76
Rot. Bonds4

About N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide

N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide (PubChem CID 134603471) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide
PubChem CID134603471
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C=C)CCN1CCOCC1
InChIInChI=1S/C10H19N3O/c1-3-13(10(2)11)5-4-12-6-8-14-9-7-12/h3,11H,1,4-9H2,2H3/b11-10+
InChIKeyVYDASVUWGNUTJN-ZHACJKMWSA-N
XLogP0.76
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
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 N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide?
The IUPAC name of N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide (CID 134603471) is N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide.
What is the SMILES notation for N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide?
The canonical SMILES for N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide is [H]/N=C(\C)N(C=C)CCN1CCOCC1.
What is the InChIKey of N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide?
The InChIKey is VYDASVUWGNUTJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-13(10(2)11)5-4-12-6-8-14-9-7-12/h3,11H,1,4-9H2,2H3/b11-10+.
What are the key properties of N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide?
N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(2-morpholin-4-ylethyl)ethanimidamide is sourced from PubChem (CID 134603471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).