N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide

C18H25N3O — CID 141215344

IUPACN'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide
SMILESCCC(/N=C(\N)c1ccc(-c2ccco2)cc1)N(CC)CC
InChIInChI=1S/C18H25N3O/c1-4-17(21(5-2)6-3)20-18(19)15-11-9-14(10-12-15)16-8-7-13-22-16/h7-13,17H,4-6H2,1-3H3,(H2,19,20)
InChIKeyWCKMGYSEJFGBFT-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.73
Rot. Bonds7

About N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide

N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide (PubChem CID 141215344) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide
PubChem CID141215344
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide
SMILESCCC(/N=C(\N)c1ccc(-c2ccco2)cc1)N(CC)CC
InChIInChI=1S/C18H25N3O/c1-4-17(21(5-2)6-3)20-18(19)15-11-9-14(10-12-15)16-8-7-13-22-16/h7-13,17H,4-6H2,1-3H3,(H2,19,20)
InChIKeyWCKMGYSEJFGBFT-UHFFFAOYSA-N
XLogP3.73
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide 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'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide?
The IUPAC name of N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide (CID 141215344) is N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide is CCC(/N=C(\N)c1ccc(-c2ccco2)cc1)N(CC)CC.
What is the InChIKey of N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide?
The InChIKey is WCKMGYSEJFGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-17(21(5-2)6-3)20-18(19)15-11-9-14(10-12-15)16-8-7-13-22-16/h7-13,17H,4-6H2,1-3H3,(H2,19,20).
What are the key properties of N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide?
N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide has a molecular weight of 299.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(diethylamino)propyl]-4-(furan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 141215344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).