N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C18H31IN4 — CID 110984305

IUPACN'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN(CC)CC)N1CCc2ccccc21.I
InChIInChI=1S/C18H30N4.HI/c1-4-19-18(20-13-9-14-21(5-2)6-3)22-15-12-16-10-7-8-11-17(16)22;/h7-8,10-11H,4-6,9,12-15H2,1-3H3,(H,19,20);1H
InChIKeyDPNLVFLWQNDPDM-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.36
Rot. Bonds7

About N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984305) has the molecular formula C18H31IN4 and a molecular weight of 430.38 g/mol. Its IUPAC name is N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984305
Molecular FormulaC18H31IN4
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC NameN'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN(CC)CC)N1CCc2ccccc21.I
InChIInChI=1S/C18H30N4.HI/c1-4-19-18(20-13-9-14-21(5-2)6-3)22-15-12-16-10-7-8-11-17(16)22;/h7-8,10-11H,4-6,9,12-15H2,1-3H3,(H,19,20);1H
InChIKeyDPNLVFLWQNDPDM-UHFFFAOYSA-N
XLogP3.36
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.36
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
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'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201
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-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984117
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
tert-butyl N-[3-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 110985251

Frequently Asked Questions

What is the IUPAC name of N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984305) is N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CCCN(CC)CC)N1CCc2ccccc21.I.
What is the InChIKey of N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is DPNLVFLWQNDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.HI/c1-4-19-18(20-13-9-14-21(5-2)6-3)22-15-12-16-10-7-8-11-17(16)22;/h7-8,10-11H,4-6,9,12-15H2,1-3H3,(H,19,20);1H.
What are the key properties of N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 430.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).