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

C7H17N3 — CID 18728201

IUPACN-ethyl-N-[2-(methylamino)ethyl]ethanimidamide
SMILES[H]/N=C(\C)N(CC)CCNC
InChIInChI=1S/C7H17N3/c1-4-10(7(2)8)6-5-9-3/h8-9H,4-6H2,1-3H3/b8-7+
InChIKeyUYNUUNPZZTUEGN-BQYQJAHWSA-N
MW143.23 g/mol
LogP0.52
Rot. Bonds4

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

N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide (PubChem CID 18728201) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(methylamino)ethyl]ethanimidamide
PubChem CID18728201
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN-ethyl-N-[2-(methylamino)ethyl]ethanimidamide
SMILES[H]/N=C(\C)N(CC)CCNC
InChIInChI=1S/C7H17N3/c1-4-10(7(2)8)6-5-9-3/h8-9H,4-6H2,1-3H3/b8-7+
InChIKeyUYNUUNPZZTUEGN-BQYQJAHWSA-N
XLogP0.52
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-N-[2-(methylamino)ethyl]ethanimidamide?
The IUPAC name of N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide (CID 18728201) is N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide.
What is the SMILES notation for N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide?
The canonical SMILES for N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide is [H]/N=C(\C)N(CC)CCNC.
What is the InChIKey of N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide?
The InChIKey is UYNUUNPZZTUEGN-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H17N3/c1-4-10(7(2)8)6-5-9-3/h8-9H,4-6H2,1-3H3/b8-7+.
What are the key properties of N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide?
N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide has a molecular weight of 143.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(methylamino)ethyl]ethanimidamide is sourced from PubChem (CID 18728201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).