N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide

C7H15N3O — CID 144726995

IUPACN-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC=O)CCNC
InChIInChI=1S/C7H15N3O/c1-7(8)10(5-6-11)4-3-9-2/h6,8-9H,3-5H2,1-2H3/b8-7+
InChIKeySLUPGXBQKIIKSX-BQYQJAHWSA-N
MW157.22 g/mol
LogP-0.30
Rot. Bonds5

About N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide

N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide (PubChem CID 144726995) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide
PubChem CID144726995
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC=O)CCNC
InChIInChI=1S/C7H15N3O/c1-7(8)10(5-6-11)4-3-9-2/h6,8-9H,3-5H2,1-2H3/b8-7+
InChIKeySLUPGXBQKIIKSX-BQYQJAHWSA-N
XLogP-0.30
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide (CID 144726995) is N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide is [H]/N=C(\C)N(CC=O)CCNC.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide?
The InChIKey is SLUPGXBQKIIKSX-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(8)10(5-6-11)4-3-9-2/h6,8-9H,3-5H2,1-2H3/b8-7+.
What are the key properties of N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide?
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide has a molecular weight of 157.22 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide is sourced from PubChem (CID 144726995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).