2-[benzyl(2-methoxyethyl)amino]propanimidamide

C13H21N3O — CID 130767445

IUPAC2-[benzyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CCOC)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-11(13(14)15)16(8-9-17-2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,14,15)
InChIKeyJEKZVQHXMWVAIN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds7

About 2-[benzyl(2-methoxyethyl)amino]propanimidamide

2-[benzyl(2-methoxyethyl)amino]propanimidamide (PubChem CID 130767445) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[benzyl(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name2-[benzyl(2-methoxyethyl)amino]propanimidamide
PubChem CID130767445
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[benzyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CCOC)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-11(13(14)15)16(8-9-17-2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,14,15)
InChIKeyJEKZVQHXMWVAIN-UHFFFAOYSA-N
XLogP1.46
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[benzyl(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

Related Compounds

1-(dibenzylamino)ethyl carbamimidothioate
CID 21119148
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
CID 60685211
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
1,1-dibenzylguanidine
CID 9487
2-(4-benzylphenoxy)propanimidamide
CID 55054330
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
N-benzyl-2-methoxy-N-trimethylsilylethanamine
CID 68644763
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
2-methyl-4-phenylbutanimidamide;hydrochloride
CID 175069791
2-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 81055981
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
3-[[butan-2-yl(2-methoxyethyl)amino]methyl]benzenecarbothioamide
CID 54999621

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 2-[benzyl(2-methoxyethyl)amino]propanimidamide (CID 130767445) is 2-[benzyl(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 2-[benzyl(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 2-[benzyl(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)C(C)N(CCOC)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-methoxyethyl)amino]propanimidamide?
The InChIKey is JEKZVQHXMWVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(13(14)15)16(8-9-17-2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,14,15).
What are the key properties of 2-[benzyl(2-methoxyethyl)amino]propanimidamide?
2-[benzyl(2-methoxyethyl)amino]propanimidamide has a molecular weight of 235.33 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 130767445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).