N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide

C19H32N4 — CID 110983746

IUPACN'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCCN(CC)CC)N1CCc2ccccc21
InChIInChI=1S/C19H32N4/c1-4-20-19(21-14-9-10-15-22(5-2)6-3)23-16-13-17-11-7-8-12-18(17)23/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3,(H,20,21)
InChIKeyIMUSTEMPALJRBJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.14
Rot. Bonds8

About N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide

N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983746) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110983746
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC NameN'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCCN(CC)CC)N1CCc2ccccc21
InChIInChI=1S/C19H32N4/c1-4-20-19(21-14-9-10-15-22(5-2)6-3)23-16-13-17-11-7-8-12-18(17)23/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3,(H,20,21)
InChIKeyIMUSTEMPALJRBJ-UHFFFAOYSA-N
XLogP3.14
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide 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

N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495414
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983624
1-[4-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 110983760
N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide (CID 110983746) is N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CCCCN(CC)CC)N1CCc2ccccc21.
What is the InChIKey of N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is IMUSTEMPALJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-4-20-19(21-14-9-10-15-22(5-2)6-3)23-16-13-17-11-7-8-12-18(17)23/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3,(H,20,21).
What are the key properties of N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 316.49 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).