3-[bis(2-methoxyethyl)amino]propanimidamide

C9H21N3O2 — CID 61418679

IUPAC3-[bis(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CCOC
InChIInChI=1S/C9H21N3O2/c1-13-7-5-12(6-8-14-2)4-3-9(10)11/h3-8H2,1-2H3,(H3,10,11)
InChIKeyOGKHUIZIJSTCGM-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.09
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]propanimidamide

3-[bis(2-methoxyethyl)amino]propanimidamide (PubChem CID 61418679) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]propanimidamide
PubChem CID61418679
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[bis(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CCOC
InChIInChI=1S/C9H21N3O2/c1-13-7-5-12(6-8-14-2)4-3-9(10)11/h3-8H2,1-2H3,(H3,10,11)
InChIKeyOGKHUIZIJSTCGM-UHFFFAOYSA-N
XLogP-0.09
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[bis(2-methoxyethyl)amino]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 3-[bis(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]propanimidamide (CID 61418679) is 3-[bis(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)CCOC.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]propanimidamide?
The InChIKey is OGKHUIZIJSTCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-13-7-5-12(6-8-14-2)4-3-9(10)11/h3-8H2,1-2H3,(H3,10,11).
What are the key properties of 3-[bis(2-methoxyethyl)amino]propanimidamide?
3-[bis(2-methoxyethyl)amino]propanimidamide has a molecular weight of 203.29 g/mol, XLogP of -0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 61418679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).