3-(diethylamino)propanimidamide;dihydrochloride

C7H19Cl2N3 — CID 42614718

IUPAC3-(diethylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CC)CC
InChIInChI=1S/C7H17N3.2ClH/c1-3-10(4-2)6-5-7(8)9;;/h3-6H2,1-2H3,(H3,8,9);2*1H
InChIKeyXKLSCHPJKBUKJY-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.50
Rot. Bonds5

About 3-(diethylamino)propanimidamide;dihydrochloride

3-(diethylamino)propanimidamide;dihydrochloride (PubChem CID 42614718) has the molecular formula C7H19Cl2N3 and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-(diethylamino)propanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-(diethylamino)propanimidamide;dihydrochloride
PubChem CID42614718
Molecular FormulaC7H19Cl2N3
Molecular Weight216.16 g/mol
Exact Mass215.10
IUPAC Name3-(diethylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CC)CC
InChIInChI=1S/C7H17N3.2ClH/c1-3-10(4-2)6-5-7(8)9;;/h3-6H2,1-2H3,(H3,8,9);2*1H
InChIKeyXKLSCHPJKBUKJY-UHFFFAOYSA-N
XLogP1.50
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.50
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'}

Analyze 3-(diethylamino)propanimidamide;dihydrochloride 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

3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanimidamide
CID 79387749
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
3-[dimethylamino(ethyl)amino]propanimidamide
CID 150321810
2-(diethylamino)ethanimidamide
CID 3259588
butanediimidamide;dihydrochloride
CID 88614640
1-(3-amino-3-iminopropyl)-3-ethyl-1,3-dimethylurea
CID 79163328
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-[(2-bromo-4-fluorophenyl)methyl-ethylamino]propanimidamide
CID 54992940
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]propanimidamide
CID 66418926
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanimidamide
CID 54993080

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propanimidamide;dihydrochloride?
The IUPAC name of 3-(diethylamino)propanimidamide;dihydrochloride (CID 42614718) is 3-(diethylamino)propanimidamide;dihydrochloride.
What is the SMILES notation for 3-(diethylamino)propanimidamide;dihydrochloride?
The canonical SMILES for 3-(diethylamino)propanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCN(CC)CC.
What is the InChIKey of 3-(diethylamino)propanimidamide;dihydrochloride?
The InChIKey is XKLSCHPJKBUKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.2ClH/c1-3-10(4-2)6-5-7(8)9;;/h3-6H2,1-2H3,(H3,8,9);2*1H.
What are the key properties of 3-(diethylamino)propanimidamide;dihydrochloride?
3-(diethylamino)propanimidamide;dihydrochloride has a molecular weight of 216.16 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propanimidamide;dihydrochloride is sourced from PubChem (CID 42614718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).