4-[bis(2-ethoxyethyl)amino]butanimidamide

C12H27N3O2 — CID 82951501

IUPAC4-[bis(2-ethoxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCOCC)CCOCC
InChIInChI=1S/C12H27N3O2/c1-3-16-10-8-15(9-11-17-4-2)7-5-6-12(13)14/h3-11H2,1-2H3,(H3,13,14)
InChIKeyXNTGNQKUSHUESU-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.08
Rot. Bonds12

About 4-[bis(2-ethoxyethyl)amino]butanimidamide

4-[bis(2-ethoxyethyl)amino]butanimidamide (PubChem CID 82951501) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[bis(2-ethoxyethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[bis(2-ethoxyethyl)amino]butanimidamide
PubChem CID82951501
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-[bis(2-ethoxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCOCC)CCOCC
InChIInChI=1S/C12H27N3O2/c1-3-16-10-8-15(9-11-17-4-2)7-5-6-12(13)14/h3-11H2,1-2H3,(H3,13,14)
InChIKeyXNTGNQKUSHUESU-UHFFFAOYSA-N
XLogP1.08
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[bis(2-ethoxyethyl)amino]butanimidamide 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 4-[bis(2-ethoxyethyl)amino]butanimidamide?
The IUPAC name of 4-[bis(2-ethoxyethyl)amino]butanimidamide (CID 82951501) is 4-[bis(2-ethoxyethyl)amino]butanimidamide.
What is the SMILES notation for 4-[bis(2-ethoxyethyl)amino]butanimidamide?
The canonical SMILES for 4-[bis(2-ethoxyethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(CCOCC)CCOCC.
What is the InChIKey of 4-[bis(2-ethoxyethyl)amino]butanimidamide?
The InChIKey is XNTGNQKUSHUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-3-16-10-8-15(9-11-17-4-2)7-5-6-12(13)14/h3-11H2,1-2H3,(H3,13,14).
What are the key properties of 4-[bis(2-ethoxyethyl)amino]butanimidamide?
4-[bis(2-ethoxyethyl)amino]butanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.08, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-ethoxyethyl)amino]butanimidamide is sourced from PubChem (CID 82951501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).