N-ethyl-N-(methyliminomethyl)propanimidamide

C7H15N3 — CID 131979243

IUPACN-ethyl-N-(methyliminomethyl)propanimidamide
SMILES[H]/N=C(\CC)N(/C=N/C)CC
InChIInChI=1S/C7H15N3/c1-4-7(8)10(5-2)6-9-3/h6,8H,4-5H2,1-3H3/b8-7+,9-6+
InChIKeyUVUHLUTWDCKZDJ-KHHFIZIMSA-N
MW141.22 g/mol
LogP1.35
Rot. Bonds3

About N-ethyl-N-(methyliminomethyl)propanimidamide

N-ethyl-N-(methyliminomethyl)propanimidamide (PubChem CID 131979243) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-ethyl-N-(methyliminomethyl)propanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(methyliminomethyl)propanimidamide
PubChem CID131979243
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-ethyl-N-(methyliminomethyl)propanimidamide
SMILES[H]/N=C(\CC)N(/C=N/C)CC
InChIInChI=1S/C7H15N3/c1-4-7(8)10(5-2)6-9-3/h6,8H,4-5H2,1-3H3/b8-7+,9-6+
InChIKeyUVUHLUTWDCKZDJ-KHHFIZIMSA-N
XLogP1.35
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N-(methyliminomethyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(methyliminomethyl)propanimidamide?
The IUPAC name of N-ethyl-N-(methyliminomethyl)propanimidamide (CID 131979243) is N-ethyl-N-(methyliminomethyl)propanimidamide.
What is the SMILES notation for N-ethyl-N-(methyliminomethyl)propanimidamide?
The canonical SMILES for N-ethyl-N-(methyliminomethyl)propanimidamide is [H]/N=C(\CC)N(/C=N/C)CC.
What is the InChIKey of N-ethyl-N-(methyliminomethyl)propanimidamide?
The InChIKey is UVUHLUTWDCKZDJ-KHHFIZIMSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-7(8)10(5-2)6-9-3/h6,8H,4-5H2,1-3H3/b8-7+,9-6+.
What are the key properties of N-ethyl-N-(methyliminomethyl)propanimidamide?
N-ethyl-N-(methyliminomethyl)propanimidamide has a molecular weight of 141.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(methyliminomethyl)propanimidamide is sourced from PubChem (CID 131979243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).